elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cu",
"Nd",
"O",
"V"
] | 12 | A8B2CD | CuNdO8V2 | Nd1 V2 Cu1 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.8077538,
0,
0
],
[
-2.90387691,
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0
],
[
0,
0,
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] | agm004916281 | [
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[
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[
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[
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[
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[
2.... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Cu", "attached": ... | [
"Nd",
"V",
"V",
"Cu",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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[
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] | -84.760097 | [
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0.142,
0.133,
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[
0.00084574,
... | 1.994138 | -0.250529 | pbe | true | beb582e45ba652d58a6c4ff4377da301_164_Nd1V2Cu1O8 |
[
"Cu",
"Ni",
"Pm",
"Sb"
] | 4 | ABCD | CuNiPmSb | Pm1 Cu1 Ni1 Sb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.72687878,
0,
0
],
[
2.36343939,
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0
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[
2.36343939,
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] | agm001340793 | [
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[
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] | [{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ni", "attached"... | [
"Sb",
"Ni",
"Cu",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
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0
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[
0,
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[
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] | -20.213142 | [
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 2.286947 | pbe | true | 4700f758224d8445699775e83359d0ee_216_Pm1Cu1Ni1Sb1 |
[
"Cu",
"O",
"Pt",
"Se"
] | 5 | A2BCD | CuOPt2Se | Cu1 Pt2 Se1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.68929037,
0,
0
],
[
0,
4.45390988,
0
],
[
0,
0,
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]
] | agm001444205 | [
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[
0,
0,
0
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[
0,
0,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached": ... | [
"O",
"Cu",
"Se",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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[
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[
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] | -19.15311 | [
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[
0,
0,
0
]
] | 0.000037 | 7.688269 | pbe | true | d34974b130462fde7748b95e9c7e4ab5_123_Cu1Pt2Se1O1 |
[
"Cu",
"O",
"Rh",
"Y"
] | 10 | A6B2CD | CuO6RhY2 | Y2 Cu1 Rh1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.53271649,
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[
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],
[
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4.60966946
]
] | agm004948164 | [
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[
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[
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1.597227025630061,
0.2238649305121144
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Cu", "attached": ... | [
"Y",
"Y",
"Cu",
"Rh",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
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[
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],
[
0.0079019,
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]
] | -74.359647 | [
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0.621,
0.571,
0.121,
0.121,
0.121,
0.105,
0.105,
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] | [
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[
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[
0.00167107,
-0.000... | 1.992167 | 5.262144 | pbe | true | 3b7cf062fcaa0b7b576abf0191f004fb_146_Y2Cu1Rh1O6 |
[
"Cu",
"P",
"Rh",
"Tc"
] | 5 | A2BCD | Cu2PRhTc | Tc1 Cu2 P1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20445548,
0,
0
],
[
0,
4.44032569,
0
],
[
0,
0,
4.20445548
]
] | agm001579899 | [
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[
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[
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[
0,
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[
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached"... | [
"P",
"Rh",
"Tc",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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[
0,
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[
0,
0,
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] | -28.450534 | [
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0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.900119 | 5.271424 | pbe | true | d815aae70a09988fe79ba7c509cb5ed8_123_Tc1Cu2P1Rh1 |
[
"Cu",
"Pb",
"Tc",
"Zn"
] | 5 | A2BCD | Cu2PbTcZn | Zn1 Tc1 Cu2 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86077282,
0,
0
],
[
0,
5.1404012,
0
],
[
0,
0,
4.86077282
]
] | agm001579918 | [
[
0,
0,
0
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[
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[
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[
0,
0,
2.43038641
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[
2.43038641,
0,
0
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Cu", "attached"... | [
"Pb",
"Zn",
"Tc",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
-3.1529088,
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0
],
[
0,
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],
[
0,
0,
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] | -15.857602 | [
0.054,
-0.029,
3.467,
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0.022
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.020283 | 3.615721 | pbe | true | 8fc3bb1df180e2163c80659dd79ef932_123_Zn1Tc1Cu2Pb1 |
[
"Cu",
"Pd",
"Si",
"Sr"
] | 6 | A2B2CD | CuPd2Si2Sr | Sr1 Cu1 Si2 Pd2 | 4 | [
1,
1,
1
] | 3 | [
[
4.47826641,
0,
0
],
[
0,
4.47826641,
0
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[
0,
0,
5.74589428
]
] | agm004748178 | [
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[
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[
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Cu",
"Si",
"Si",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
0,
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[
0,
0,
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] | -28.481506 | [
0,
0,
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0,
0
] | [
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[
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[
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[
0,
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0
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[
0,
0,
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[
0,
0,
0.00267792
]
] | -0.000025 | 3.922712 | pbe | true | 97ad542e89b740590e50bf859a3ca9af_123_Sr1Cu1Si2Pd2 |
[
"Cu",
"Pd",
"Tb",
"Tm"
] | 4 | ABCD | CuPdTbTm | Tb1 Tm1 Cu1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.918,
0,
0
],
[
2.459,
4.25911293,
0
],
[
2.459,
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4.01553018
]
] | agm001344661 | [
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[
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[
2.459,
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],
[
7.377,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Tb",
"Cu",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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[
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] | -20.717414 | [
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] | [
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000015 | 3.010379 | pbe | true | 34504be255ad3ab2bc6c71a0cf7b9431_216_Tb1Tm1Cu1Pd1 |
[
"Cu",
"Pr",
"Te",
"Y"
] | 12 | A3BCD | CuPrTe3Y | Pr2 Y2 Cu2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.22605448,
-0.00025984,
0
],
[
-2.11202389,
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0
],
[
0,
0,
11.23186129
]
] | agm002268913 | [
[
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[
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[
-0.0000263194447983569,
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],
[
2.110076... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached"... | [
"Pr",
"Pr",
"Y",
"Y",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.5,
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[
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[
0,
0,
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] | -62.409913 | [
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0,
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0,
0,
0,
0,
0,
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0,
0
] | [
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[
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[
0,
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0
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[
-0.00005937,
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0.00133725
],
... | -0.000002 | 5.190491 | pbe | true | fd6d317ddd86094014ed48672fb46f6d_11_Pr2Y2Cu2Te6 |
[
"Cu",
"Pt",
"Re",
"Tl"
] | 5 | A2BCD | CuPt2ReTl | Tl1 Re1 Cu1 Pt2 | 4 | [
1,
1,
1
] | 3 | [
[
4.85312764,
0,
0
],
[
0,
5.27139214,
0
],
[
0,
0,
4.85312764
]
] | agm001574394 | [
[
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[
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[
0,
0,
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached"... | [
"Re",
"Tl",
"Cu",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -24.666263 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 4.011457 | pbe | true | f90f9afb871172c7e930b0ba8dead157_123_Tl1Re1Cu1Pt2 |
[
"Cu",
"Rb",
"Te",
"U"
] | 9 | A4B2C2D | Cu2Rb2Te4U | Rb2 U1 Cu2 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
4.41763117,
0,
0
],
[
0,
8.65097561,
0.48624712
],
[
-2.20881559,
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7.45308522
]
] | agm004559783 | [
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],
[
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... | 1.998674 | 4.484457 | pbe | true | 9aa00403f76e1eb1624cf9a57d71b3a2_12_Rb2U1Cu2Te4 |
[
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1,
1,
1
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[
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1,
1,
1
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[
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[
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1,
1,
1
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... | 2.785868 | 14.063025 | pbe | true | 91a938693f781159619b08ad10dbc9c0_36_Sr4U2Cu2Te10 |
[
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1,
1,
1
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] | -7.09897 | 7.04128 | pbe | true | 8929b2ae97ab0579c607fb01122be211_216_Pr1Eu1Dy1Ho1 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
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-0.000... | -0.000133 | 25.765335 | pbe | true | 45f1c2ad187ea41979f92a2071b88c9c_127_Dy4Ga2Ir4Rh10 |
[
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1,
1,
1
] | 3 | [
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0,
0
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[
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] | -0.000121 | 2.41036 | pbe | true | dc1efc9cc314819195337bea21c9ae8e_216_Pm1Dy1Ga1Pb1 |
[
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1,
1,
1
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[... | 0.001287 | 10.988606 | pbe | true | 9092f02ad059bc6eeffde66a3144a696_166_Dy8Ga1Te4Pt3 |
[
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1,
1,
1
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0,
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... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pt", "attached"... | [
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[
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[
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1,
1,
1
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ge",
"Tm",
"Rh",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.8123958,
0,
0
],
[
0,
3.8123958,
0
],
[
0,
0,
3.8123958
]
] | -24.051358 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000018 | 2.098944 | pbe | true | decba398b6bf4d2e31b8671ad95c4bd0_216_Dy1Tm1Ge1Rh1 |
[
"Dy",
"In",
"O",
"Pb"
] | 14 | A4BCD | Dy4InOPb | Dy8 In2 Pb2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
6.50174497,
0,
0
],
[
0,
6.48592323,
0
],
[
-3.25087248,
0,
8.49311284
]
] | agm005057136 | [
[
3.250872489311308,
1.6214808075,
7.323284556812173
],
[
-2.8348142041198226e-8,
4.8644424225,
7.067259415456989
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[
6.886922999216374e-10,
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1.1698282831878264
],
[
3.2508725183481424,
1.6214808075,
1.4258534245430117
],
[
1.62543624... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": ... | [
"Dy",
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"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"In",
"In",
"Pb",
"Pb",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.14285714285714285,
0.14285714285714285,
0.14285714285714285
] | [
[
0.13355185,
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0
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[
0,
0.02336525,
0
],
[
0,
0,
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] | -75.573303 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
0,
0,
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[
0,
0,
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[
0... | 0.001196 | 8.69896 | pbe | true | cfc0b29e54f66c556a842142f55a1fab_63_Dy8In2Pb2O2 |
[
"Dy",
"In",
"O",
"Y"
] | 5 | A2BCD | Dy2InOY | Dy2 Y1 In1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.80884257,
0,
0
],
[
0,
4.77527495,
0
],
[
0,
0,
4.77527495
]
] | agm005010889 | [
[
0,
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[
0,
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0
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[
2.404421285,
0,
0
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[
2.404421285,
2.387637475,
2.387637475
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": ... | [
"Dy",
"Dy",
"Y",
"In",
"O"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.24506858,
0,
0
],
[
0,
0.03883661,
0
],
[
0,
0,
0.03883661
]
] | -30.516182 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000014 | 1.481722 | pbe | true | bfa150831a0e821b8c6445c755b71062_123_Dy2Y1In1O1 |
[
"Dy",
"Mg",
"Pr",
"Y"
] | 20 | A6B2CD | DyMgPr6Y2 | Pr12 Dy2 Y4 Mg2 | 4 | [
1,
1,
1
] | 3 | [
[
9.56433452,
-1.31973234,
-1.36958424
],
[
1.66066389,
8.46665228,
-2.08568445
],
[
1.66066389,
-2.39803663,
8.38353749
]
] | agm004977523 | [
[
2.4667034602486253,
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6.525966539119855
],
[
5.636791579751375,
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7.311779941427954
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[
10.418958839751372,
6.690797176078687,
-1.5976977391198544
],
[
7.248870720248624,
5.933586824041666,
-2.383511141427954
],
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached"... | [
"Pr",
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"Pr",
"Pr",
"Pr",
"Pr",
"Dy",
"Dy",
"Y",
"Y",
"Y",
"Y",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
[
0.31793046,
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-0.00893464
],
[
-0.00860941,
0.33208823,
-0.04114953
],
[
-0.00893463,
-0.04114953,
0.329036
]
] | -93.752176 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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[
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[
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[
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[
0.00218454,
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0.0029312
],
[
-0.00218454,
-0.00296798,
... | -0.000237 | 30.29456 | pbe | true | 92d282f7ade367c1df4481470206a88a_15_Pr12Dy2Y4Mg2 |
[
"Dy",
"Mn",
"Pd",
"Rh"
] | 4 | ABCD | DyMnPdRh | Dy1 Mn1 Pd1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.64110546,
0,
0
],
[
2.32055273,
4.01931523,
0
],
[
2.32055273,
1.33977174,
3.78944674
]
] | agm001395439 | [
[
2.32055273,
1.3397717425,
0.947361685
],
[
0,
0,
0
],
[
4.64110546,
2.679543485,
1.89472337
],
[
6.9616581900000005,
4.0193152275,
2.842085055
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mn",
"Rh",
"Pd",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.33051,
0,
0
],
[
0,
6.33051,
0
],
[
0,
0,
6.33051
]
] | -28.354558 | [
3.933,
0.272,
0.079,
-0.044
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.434591 | 2.563982 | pbe | true | b02f48e81db792dc0a632b955c9ae53c_216_Dy1Mn1Pd1Rh1 |
[
"Dy",
"N",
"Np",
"Sr"
] | 8 | A4B2CD | DyN4NpSr2 | Sr2 Dy1 Np1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.58342205,
0,
0
],
[
0,
6.078294,
0.12316993
],
[
0,
-2.10802951,
5.94555697
]
] | agm004847030 | [
[
1.791711025,
-1.054014755,
2.972778485
],
[
0,
1.9851322449999997,
3.0343634500000003
],
[
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3.039147,
0.061584965
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[
0,
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0
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[
1.791711025,
0.9350989635043732,
1.2425996379482234
],
[
1.791711025,
3.0351655264... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Dy",
"Np",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
0.5055363,
0,
0
],
[
0,
0.5292731,
-0.04683613
],
[
0,
-0.04683617,
0.5155814
]
] | -63.480508 | [
0.018,
0.018,
0.024,
2.161,
-0.088,
-0.088,
-0.076,
-0.076
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.0016054,
0.00192352
],
[
0,
-0.0016054,
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],
[
0,
-0.00266565,
0.00227448
],
[
0,
0.00266565,
-0.00227448
]
] | 1.966226 | 4.716435 | pbe | true | 85910865299d6048c15bfb01185682ce_10_Sr2Dy1Np1N4 |
[
"Dy",
"N",
"S",
"U"
] | 5 | A2BCD | DyN2SU | Dy1 U1 S1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.77894084,
0,
0
],
[
0,
3.77894084,
0
],
[
-1.88947042,
-1.88947042,
5.97114201
]
] | agm005015504 | [
[
1.8894704199999999,
1.8894704199999999,
4.186332911164502
],
[
1.693951599479249e-17,
1.693951599479249e-17,
1.893008461090662
],
[
1.889470401105296,
1.889470401105296,
0.037856383517778903
],
[
1.8894704011052956,
-1.889470431364558e-8,
2.9125491331112... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "U", "attached": n... | [
"Dy",
"U",
"S",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.8174139,
0,
0
],
[
0,
0.8174139,
0
],
[
0,
0,
0.6736555
]
] | -44.500548 | [
0.02,
1.034,
-0.029,
-0.053,
-0.053
] | [
[
0,
0,
-0.00226581
],
[
0,
0,
0.00060342
],
[
0,
0,
-0.00005528
],
[
0,
0,
0.00085884
],
[
0,
0,
0.00085884
]
] | 1.001313 | 2.996901 | pbe | true | 4b44e3c613c205d49b07ccbf4961a456_107_Dy1U1S1N2 |
[
"Dy",
"N",
"Sm",
"Tb"
] | 8 | A4B2CD | Dy2N4SmTb | Tb1 Sm1 Dy2 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.50947074,
0,
0
],
[
0,
6.07529414,
0.10832688
],
[
0,
-2.12390184,
5.69366234
]
] | agm004848269 | [
[
0,
0,
0
],
[
1.75473537,
3.03764707,
0.05416344
],
[
1.75473537,
-1.06195092,
2.84683117
],
[
0,
1.9756961499999999,
2.90099461
],
[
1.75473537,
0.9722774094393944,
1.4689656792862251
],
[
1.75473537,
2.979114890560605,
4.... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sm", "attached"... | [
"Tb",
"Sm",
"Dy",
"Dy",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.2226207,
0,
0
],
[
0,
0.22512516,
0.00608522
],
[
0,
0.00608528,
0.22208592
]
] | -64.912365 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0.00215007,
1.3e-7
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[
0,
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],
[
0,
-0.00101322,
0.00307423
],
[
0,
0.00101322,
-0.00307423
]
] | 0 | 0.221085 | pbe | true | 7d07341831775ae10bbd176c8a8c7750_10_Tb1Sm1Dy2N4 |
[
"Dy",
"O",
"Te",
"Ti"
] | 11 | A5B2C2D2 | Dy2O5Te2Ti2 | Dy2 Ti2 Te2 O5 | 4 | [
1,
1,
1
] | 3 | [
[
3.86389346,
0.00028883,
0.00034189
],
[
0.00028883,
3.86389272,
0.00034593
],
[
-1.93231888,
-1.93232712,
13.69943193
]
] | agm002298455 | [
[
0.00004549430593975351,
0.000040549970557637135,
5.223672629047212
],
[
1.9318179156940603,
1.9318138800294424,
8.476447120952788
],
[
0.0004180424799137308,
0.00041666870328130296,
1.81689038124126
],
[
1.9314453675200862,
1.9314377612967184,
11.8832293... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Te", "attached": ... | [
"Te",
"Te",
"Ti",
"Ti",
"O",
"O",
"O",
"O",
"O",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.45454545454545453,
0.18181818181818182,
0.18181818181818182
] | [
[
0.52502793,
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],
[
-0.1118109,
0.5252865,
-0.01682561
],
[
-0.01678903,
-0.01682546,
0.46591815
]
] | -85.392108 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00016969,
0.00017053,
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],
[
-0.00016969,
-0.00017053,
0.00358665
],
[
-0.00078401,
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-0.03735823
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[
0.00078401,
0.00078401,
0.03735823
],
[
0,
0,
0
],
[
0.00008215,
-0.0007034,
0.01131885
],
[... | 0 | 1.124329 | pbe | true | f04e10b4684a94daca5f52ca6e248ccd_139_Dy2Ti2Te2O5 |
[
"Er",
"Eu",
"Lu",
"Tl"
] | 4 | ABCD | ErEuLuTl | Eu1 Er1 Lu1 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.52177011,
0,
0
],
[
2.76088505,
4.78199319,
0
],
[
2.76088505,
1.59399773,
4.50850641
]
] | agm001394776 | [
[
0,
0,
0
],
[
8.2826551575,
4.78199319,
3.3813798075
],
[
2.7608850525000004,
1.59399773,
1.1271266025
],
[
5.521770105000001,
3.18799546,
2.254253205
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Lu", "attached"... | [
"Eu",
"Tl",
"Lu",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.4760013,
0,
0
],
[
0,
2.4760013,
0
],
[
0,
0,
2.4760013
]
] | -21.826744 | [
6.873,
-0.008,
0.217,
0.188
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.698201 | 4.417171 | pbe | true | 9b920c3566b2328916894210918c3de9_216_Eu1Er1Lu1Tl1 |
[
"Er",
"Eu",
"Pm",
"Sn"
] | 4 | ABCD | ErEuPmSn | Pm1 Eu1 Er1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.49545411,
0,
0
],
[
2.74772706,
4.75920287,
0
],
[
2.74772706,
1.58640096,
4.48701949
]
] | agm001339736 | [
[
8.2431811725,
4.7592028725,
3.3652646175
],
[
5.495454114999999,
3.172801915,
2.243509745
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[
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[
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0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pm", "attached"... | [
"Eu",
"Pm",
"Sn",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.322399,
0,
0
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[
0,
2.322399,
0
],
[
0,
0,
2.322399
]
] | -24.555591 | [
6.967,
0.175,
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0.24
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[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 7.840464 | 5.270336 | pbe | true | 7cabf3a570d49f6a9c74534d3c217d5c_216_Pm1Eu1Er1Sn1 |
[
"Er",
"Ga",
"Mg",
"Pd"
] | 6 | A2B2CD | ErGa2Mg2Pd | Er1 Mg2 Ga2 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16354851,
0,
0
],
[
0,
5.16354851,
0
],
[
-2.58177425,
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]
] | agm004758148 | [
[
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0
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[
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2.5817742525,
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[
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[
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[
2.8070002909975224e-8,
2.35654822... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached"... | [
"Er",
"Mg",
"Mg",
"Ga",
"Ga",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.3333333333333333,
0.16666666666666666
] | [
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
0
]
] | -0.000002 | 3.853509 | pbe | true | b3b2f287984aef1db431c41930eb7f07_139_Er1Mg2Ga2Pd1 |
[
"Al",
"Sb"
] | 3 | A2B | AlSb2 | Al1 Sb2 | 2 | [
1,
1,
1
] | 3 | [
[
3.41578818,
0,
0
],
[
-1.70789409,
2.95815934,
0
],
[
0,
0,
7.98924786
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] | agm004007208 | [
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[
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Sb",
"Sb",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
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[
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[
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] | -11.587883 | [
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[
0,
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[
0,
0,
0
]
] | -0.000001 | 0.935748 | pbe | true | b4a562ddde18cee4f1978a0b7ca88ec8_164_Al1Sb2 |
[
"Er",
"Ge",
"Ir",
"Sm"
] | 10 | A4B3C2D | ErGe3Ir4Sm2 | Sm2 Er1 Ge3 Ir4 | 4 | [
1,
1,
1
] | 3 | [
[
4.17549988,
0,
0
],
[
0,
4.17549988,
0
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[
0,
0,
11.22383064
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] | agm004512572 | [
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[
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[
0,
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[
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ir", "attached"... | [
"Sm",
"Sm",
"Er",
"Ge",
"Ge",
"Ge",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.1,
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0.2
] | [
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[
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[
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] | -71.314186 | [
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[
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[
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[
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[
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[
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[
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[
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... | -0.000005 | 5.018505 | pbe | true | b648c57c07277f89aa83ef9f6045d697_115_Sm2Er1Ge3Ir4 |
[
"Er",
"Ho",
"K",
"Se"
] | 12 | A6B3C2D | Er2HoK3Se6 | K3 Ho1 Er2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
7.24925773,
-0.00096376,
0.00030632
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[
-3.62369922,
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0.00030632
],
[
-1.20885811,
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] | agm004639532 | [
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[
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[
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[
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Er", "attached": ... | [
"K",
"K",
"K",
"Ho",
"Er",
"Er",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.25,
0.5
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[
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[
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[
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0
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[
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0.00288371
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[
-0... | 0 | 0 | pbe | true | cf9265aa294a63dd6f09885ba5df705c_12_K3Ho1Er2Se6 |
[
"Er",
"Ho",
"La",
"Tb"
] | 16 | A4B2CD | ErHo4LaTb2 | La2 Tb4 Ho8 Er2 | 4 | [
1,
1,
1
] | 3 | [
[
11.93850746,
-0.50270199,
-3.00766856
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[
0.26732546,
7.10435009,
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[
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8.19555756
]
] | agm004865900 | [
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1.7773198503127614,
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[
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[
1.9112985875725592,
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2.4818621516577726
],
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached"... | [
"La",
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"Tb",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
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[
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[
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] | -73.812518 | [
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[
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[
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[
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0.0018399... | -0.000015 | 21.23635 | pbe | true | 9f141a2ff8611b653d498e32ecd9e1c1_12_La2Tb4Ho8Er2 |
[
"Er",
"Ho",
"Nd",
"Sm"
] | 16 | A4B2CD | Er4Ho2NdSm | Nd2 Sm2 Ho4 Er8 | 4 | [
1,
1,
1
] | 3 | [
[
7.09022416,
0.25584009,
-0.03879227
],
[
-0.44604462,
11.91003928,
-2.87799264
],
[
-3.19361613,
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8.04455316
]
] | agm004866146 | [
[
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5.955642615433259,
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[
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1.6127200897486855,
2.5833305771774637
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[
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2.5635182645529335
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[
3.4502007085272908,
3.479916768496419,
5.127239098538331
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached"... | [
"Nd",
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"Ho",
"Ho",
"Ho",
"Ho",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
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0.125,
0.125
] | [
[
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[
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[
0.02018029,
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] | -73.499965 | [
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] | [
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[
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[
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[
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[
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[
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-0.000473... | 0.000083 | 20.21389 | pbe | true | af0b411635317c350d9a4af778c14c14_12_Nd2Sm2Ho4Er8 |
[
"Er",
"Ho",
"Sm",
"Tm"
] | 12 | A6B3C2D | ErHo3Sm2Tm6 | Sm2 Ho3 Er1 Tm6 | 4 | [
1,
1,
1
] | 3 | [
[
6.09656869,
0.00189932,
0.00113954
],
[
-3.04515535,
5.28158899,
0.00113954
],
[
-1.01635209,
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11.46639998
]
] | agm004658702 | [
[
0.002726435380495813,
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[
3.0486869046195046,
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[
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[
4.0664138862490775,
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5.73433953
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[
1.017530625,
1... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached"... | [
"Sm",
"Sm",
"Ho",
"Ho",
"Ho",
"Er",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.25,
0.16666666666666666,
0.5
] | [
[
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[
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[
0.00274508,
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] | -54.292175 | [
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] | [
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[
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[
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[
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[
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[
0,
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0
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[
0.00044317,
0.00076428,
0.00100278
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[
-0.000... | -0.000404 | 16.199512 | pbe | true | ae71d4e137d28dd87ec45bc6bbf73d39_12_Sm2Ho3Er1Tm6 |
[
"Er",
"In",
"Sc",
"Tb"
] | 4 | ABCD | ErInScTb | Tb1 Er1 Sc1 In1 | 4 | [
1,
1,
1
] | 3 | [
[
5.33250976,
0,
0
],
[
2.66625488,
4.61808892,
0
],
[
2.66625488,
1.53936297,
4.35397599
]
] | agm001389597 | [
[
0,
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0
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[
5.33250976,
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2.176987995
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[
2.66625488,
1.5393629725,
1.0884939975
],
[
7.99876464,
4.6180889175,
3.2654819925000003
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Er", "attached"... | [
"Sc",
"In",
"Tb",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.287896,
0,
0
],
[
0,
2.287896,
0
],
[
0,
0,
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]
] | -18.885258 | [
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0.16,
0.193
] | [
[
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.894073 | 6.142809 | pbe | true | 8418ec979ec09f9ebef131974faa1361_216_Tb1Er1Sc1In1 |
[
"Er",
"La",
"Nd",
"Th"
] | 20 | A6B2CD | ErLa6NdTh2 | La12 Nd2 Er2 Th4 | 4 | [
1,
1,
1
] | 3 | [
[
8.82393645,
-1.6144792,
-1.67546494
],
[
1.31558885,
8.9233139,
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],
[
1.31558885,
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8.84449965
]
] | agm004981519 | [
[
1.9301950956233305,
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6.611407038649616
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[
5.112950829376669,
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7.064254873995127
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[
9.524919054376669,
6.282856248770907,
-1.4035531086496165
],
[
6.342163320623331,
5.846491752750262,
-1.856400943995128
],
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached"... | [
"La",
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"La",
"La",
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"Nd",
"Er",
"Er",
"Th",
"Th",
"Th",
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] | 2023-11-16 06:57:59 | [
0.1,
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0.1,
0.2
] | [
[
1.3186138,
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[
0.00644482,
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],
[
0.00668826,
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] | -104.319212 | [
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0,
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] | [
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[
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[
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],
[
0.00092867,
0.00370219,
-0.00249209
],
[
0.00041985,
0.00109858,
0.00234177
],
[
-0.00041985,
-0.0022... | -0.000229 | 29.046051 | pbe | true | 81aadfd2e0d7628517a674d78320ec0b_15_La12Nd2Er2Th4 |
[
"Er",
"Pm",
"Sc",
"Tm"
] | 8 | A4B2CD | Er2Pm4ScTm | Pm4 Er2 Tm1 Sc1 | 4 | [
1,
1,
1
] | 3 | [
[
5.07150922,
-0.00004261,
-0.00003493
],
[
-0.00000362,
4.97304504,
0.94028971
],
[
-0.00004747,
3.15053998,
10.57708883
]
] | agm004863373 | [
[
0.00038205219646809995,
6.101795294255728,
8.595172748870628
],
[
5.071071006360087,
2.021749849544471,
2.9221564059656218
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[
2.535894017781643,
4.509781603655869,
3.3898214361608616
],
[
2.5355590407529864,
3.6137626288918017,
8.127512537074947
],
... | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Er", "attached"... | [
"Pm",
"Pm",
"Pm",
"Pm",
"Er",
"Er",
"Tm",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.7185448,
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0.00179899
],
[
0.00226518,
0.8144843,
0.01498243
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[
0.00179901,
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0.7433988
]
] | -38.696639 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00135985,
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[
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[... | 0.000142 | 10.911794 | pbe | true | 9dd45f4bf3bbbe804e3b5616f59c4d1a_47_Pm4Er2Tm1Sc1 |
[
"Er",
"Tb",
"Th",
"Tm"
] | 20 | A6B2CD | ErTb6ThTm2 | Tb12 Er2 Tm4 Th2 | 4 | [
1,
1,
1
] | 3 | [
[
8.89613675,
-1.83976715,
-1.90926297
],
[
0.94834713,
8.51773941,
-1.89427175
],
[
0.94834713,
-2.20864879,
8.44168352
]
] | agm004983709 | [
[
1.3663146635165646,
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6.1489210519342965
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[
4.978447971483436,
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[
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5.270734084088358,
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],
[
5.8143830385165645,
5.254514444857377,
-1.5276045756385874
],... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Er", "attached"... | [
"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Er",
"Er",
"Tm",
"Tm",
"Tm",
"Tm",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
0.3004263,
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0.01155787
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[
0.01113717,
0.30194005,
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],
[
0.01155787,
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0.2994407
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] | -94.451599 | [
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0,
0,
0,
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0,
0,
0,
0,
0,
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0
] | [
[
0.00060126,
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[
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[
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[
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[
-0.00137994,
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[
0.00137994,
0.0006... | -0.000591 | 29.266525 | pbe | true | 855477501fd41fcc7a827706f4979c90_15_Tb12Er2Tm4Th2 |
[
"Eu",
"Ga",
"Ge",
"Sc"
] | 4 | ABCD | EuGaGeSc | Eu1 Sc1 Ga1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
4.99502344,
0,
0
],
[
2.49751172,
4.3258172,
0
],
[
2.49751172,
1.44193907,
4.07841956
]
] | agm001287113 | [
[
4.99502344,
2.8838781350000002,
2.03920978
],
[
0,
0,
0
],
[
7.492535159999999,
4.325817202500001,
3.0588146700000003
],
[
2.49751172,
1.4419390675000001,
1.01960489
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sc", "attached"... | [
"Eu",
"Sc",
"Ge",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.7591438,
0,
0
],
[
0,
2.7591438,
0
],
[
0,
0,
2.7591438
]
] | -26.215734 | [
6.734,
0.076,
-0.023,
0.001
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 7.006488 | 2.433938 | pbe | true | 38adbbb2079da8c083dc633ebd53aabd_216_Eu1Sc1Ga1Ge1 |
[
"Bi",
"La"
] | 3 | A2B | Bi2La | La1 Bi2 | 2 | [
1,
1,
1
] | 3 | [
[
4.35263926,
0.00243685,
0.00068899
],
[
0.00243685,
4.35263926,
0.00068899
],
[
-2.17641876,
-2.17641876,
5.29269859
]
] | agm001851124 | [
[
-0.0014685395895789035,
-0.0014685395895789035,
1.5765929969341412
],
[
2.180125889589579,
2.180125889589579,
3.7174835730658584
],
[
2.177538055,
2.177538055,
0.00068899
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}] | [
"Bi",
"Bi",
"La"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
0.79412013,
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],
[
0.18218821,
0.79412013,
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],
[
0.03684457,
0.03684457,
0.766424
]
] | -14.428775 | [
0,
0,
0
] | [
[
-0.00295948,
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-0.00275559
],
[
0.00295948,
0.00295948,
0.00275559
],
[
0,
0,
0
]
] | -0.000001 | 2.125269 | pbe | true | 59d24c1f7178e4c646089b43d0711acc_139_La1Bi2 |
[
"Eu",
"Mg",
"Pb",
"Sn"
] | 4 | ABCD | EuMgPbSn | Eu1 Mg1 Sn1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.41759651,
0,
0
],
[
2.70879826,
4.69177621,
0
],
[
2.70879826,
1.5639254,
4.42344903
]
] | agm001337671 | [
[
8.1263947725,
4.691776207499999,
3.3175867724999994
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[
0,
0,
0
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[
5.4175965150000005,
3.1278508049999996,
2.211724515
],
[
2.7087982575000003,
1.5639254024999998,
1.1058622575
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sn", "attached"... | [
"Pb",
"Eu",
"Mg",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.5584643,
0,
0
],
[
0,
3.5584643,
0
],
[
0,
0,
3.5584643
]
] | -20.904798 | [
-0.011,
6.806,
-0.011,
-0.014
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.88899 | 2.594623 | pbe | true | e592ff8f6819e691e1a917b49477caa6_216_Eu1Mg1Sn1Pb1 |
[
"F",
"Fe",
"Mn",
"N"
] | 5 | A2BCD | FFeMnN2 | Mn1 Fe1 N2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
3.87798025,
0,
0
],
[
0,
3.87798025,
0
],
[
0,
0,
3.87943185
]
] | agm001719289 | [
[
0,
1.938990125,
0
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[
1.938990125,
0,
0
],
[
0,
0,
0
],
[
1.938990125,
1.938990125,
1.939715925
],
[
0,
0,
1.939715925
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "F", "attached":... | [
"N",
"N",
"Mn",
"Fe",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.6659275,
0,
0
],
[
0,
1.6659275,
0
],
[
0,
0,
1.6891537
]
] | -30.114321 | [
-0.576,
-0.576,
3.54,
3.824,
0.012
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.073476 | 2.379123 | pbe | true | c51f8b2049ceb92d040865f054ea6ef8_123_Mn1Fe1N2F1 |
[
"F",
"H",
"N",
"Se"
] | 5 | A2BCD | FHNSe2 | H1 Se2 N1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.72793788,
0,
0
],
[
0,
4.72793788,
0
],
[
0,
0,
2.65149803
]
] | agm001795346 | [
[
0,
0,
0
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[
0,
0,
1.325749015
],
[
0,
2.36396894,
0
],
[
2.36396894,
0,
0
],
[
2.36396894,
2.36396894,
1.325749015
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "F", "attached": n... | [
"H",
"N",
"Se",
"Se",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.3796574,
0,
0
],
[
0,
1.3796574,
0
],
[
0,
0,
0.90950555
]
] | -16.196739 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000021 | 3.946663 | pbe | true | 09117aed2b1bef3a4642f83a9818fae8_123_H1Se2N1F1 |
[
"F",
"Hg",
"Rb",
"Se"
] | 10 | A6B2CD | F6HgRb2Se | Rb2 Hg1 Se1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
6.38732621,
0,
0
],
[
0,
6.38732621,
0
],
[
3.19366311,
3.19366311,
5.17264336
]
] | agm004485217 | [
[
3.193663105,
3.193663105,
0
],
[
0,
0,
0
],
[
6.3873262125,
3.1936631075,
2.58632168
],
[
3.1936631075,
6.3873262125,
2.58632168
],
[
3.193663076039484,
3.193663076039484,
3.0788759365842453
],
[
6.387326243960517,
6.387326243... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Se", "attached": ... | [
"Se",
"Hg",
"Rb",
"Rb",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.2,
0.1
] | [
[
1.2785572,
0,
0
],
[
0,
1.2785572,
0
],
[
0,
0,
1.8471594
]
] | -36.043506 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0.00480063
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[
0,
0,
-0.00480063
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[
-0.00301265,
-0.00301265,
0
],
[
0.00301265,
0.00301265,
0
],
[
0.00301265,
-0.00... | 0 | 0 | pbe | true | 7e46dc4cc96d820c17791e04768a4826_139_Rb2Hg1Se1F6 |
[
"F",
"Hg",
"Sb",
"Ti"
] | 5 | A2BCD | FHgSbTi2 | Ti2 Hg1 Sb1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
5.17760762,
0,
0
],
[
0,
4.42854612,
0
],
[
0,
0,
5.17760762
]
] | agm001520015 | [
[
2.58880381,
2.21427306,
2.58880381
],
[
0,
2.21427306,
0
],
[
0,
0,
0
],
[
0,
0,
2.58880381
],
[
2.58880381,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Sb",
"F",
"Hg",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-1.2501692,
0,
0
],
[
0,
-0.07770323,
0
],
[
0,
0,
-1.2501692
]
] | -20.21918 | [
-0.061,
0.013,
0.012,
0.514,
0.704
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.405456 | 7.495169 | pbe | true | e5708f7b8089bfe7d8bbd7a8e9ba988d_123_Ti2Hg1Sb1F1 |
[
"F",
"K",
"Li",
"Tm"
] | 16 | A5BCD | F5KLiTm | K2 Li2 Tm2 F10 | 4 | [
1,
1,
1
] | 3 | [
[
6.15732905,
-0.00550926,
-0.04901637
],
[
-1.80267786,
5.88753632,
-0.04901637
],
[
-1.86882403,
-2.52430632,
7.52481086
]
] | agm005067274 | [
[
0.4276117117681247,
3.2594182072212856,
1.832186345
],
[
2.058215448231876,
0.09830253277871481,
5.594591775
],
[
3.1830415745284037,
1.2194860868935817,
1.832186345
],
[
-0.6972144145284038,
2.1382346531064185,
5.594591775
],
[
-0.934412015,
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
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"Tm",
"Tm",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.625,
0.125,
0.125,
0.125
] | [
[
1.8694285,
0.51457155,
-0.31683987
],
[
0.51457155,
2.1835303,
-0.42797014
],
[
-0.3168397,
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1.4674419
]
] | -90.348287 | [
0,
0,
-0.001,
-0.001,
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0.001,
0.001,
0.024,
0.024,
0.024,
0.024,
0.043,
0.043,
0.043,
0.043
] | [
[
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0
],
[
0.0018767,
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0
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[
-0.0005432,
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0
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[
0.0005432,
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0
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[
0,
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[
0,
0,
0
],
[
-0.00340063,
0.0025176,
0
],
[
0.00340063,
-... | 0.303649 | 0 | pbe | true | c85ce33cc7d9fbe35fb1b321c321bbfc_15_K2Li2Tm2F10 |
[
"F",
"K",
"Mn",
"V"
] | 20 | A6B2CD | F6K2MnV | K4 Mn2 V2 F12 | 4 | [
1,
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[
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[
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[
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[
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[
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[
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[
-0.0... | 2.010958 | 0.282512 | pbe | true | a7b34e82d08d4f4a129d2c10336584ef_15_Rb2Nb2O6F2 |
[
"F",
"Ni",
"O",
"Rb"
] | 10 | A6B2CD | F6NiORb2 | Rb2 Ni1 O1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
5.92201378,
0,
0
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[
0,
5.92201378,
0
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[
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] | agm004486041 | [
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": nu... | [
"Ni",
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"Rb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.03... | -2.000002 | 0.575212 | pbe | true | 6802874d018b1c294e21910e44d8d3ec_139_Rb2Ni1O1F6 |
[
"F",
"Rb",
"Sn",
"Ti"
] | 18 | A6BCD | F6RbSnTi | Rb2 Ti2 Sn2 F12 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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0
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[
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] | agm005068568 | [
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[
-1.... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached": ... | [
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"F",
"F",
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] | 2023-11-16 06:57:59 | [
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[
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0.00145626,
-0.00159... | 2.001721 | 4.964771 | pbe | true | 79a13f057ba333a4c5f1ad066a7c1a99_74_Rb2Ti2Sn2F12 |
[
"F",
"Rb",
"Tl",
"Zn"
] | 12 | A7B2C2D | F7Rb2TlZn2 | Rb2 Tl1 Zn2 F7 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm004592073 | [
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2... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Zn", "attached"... | [
"Rb",
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"Zn",
"Zn",
"F",
"F",
"F",
"F",
"F",
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] | 2023-11-16 06:57:59 | [
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[
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0.0002... | 0 | 0 | pbe | true | 5bc5f28951bdc46664ce43793e886584_139_Rb2Tl1Zn2F7 |
[
"Fe",
"Ga",
"Ir",
"Pa"
] | 4 | ABCD | FeGaIrPa | Pa1 Ga1 Fe1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.60169565,
0,
0
],
[
2.30084782,
3.98518533,
0
],
[
2.30084782,
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]
] | agm001361856 | [
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pa",
"Fe",
"Ga",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -31.215381 | [
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[
0,
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[
0,
0,
0
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] | 1.356639 | 3.112653 | pbe | true | 1626e4aeb4c005ce924f650c1f2ef78e_216_Pa1Ga1Fe1Ir1 |
[
"Fe",
"Ga",
"Np",
"Os"
] | 4 | ABCD | FeGaNpOs | Np1 Ga1 Fe1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.50332053,
0,
0
],
[
2.25166026,
3.89998998,
0
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[
2.25166026,
1.29999666,
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]
] | agm001364609 | [
[
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[
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[
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Os",
"Fe",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
] | [
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[
0,
4.793047,
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[
0,
0,
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] | -35.564919 | [
3.308,
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0.032
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0,
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.707545 | 4.557718 | pbe | true | 886f3e51e75fce2d6d9a30f2df3b1a49_216_Np1Ga1Fe1Os1 |
[
"Fe",
"Ge",
"In",
"O"
] | 5 | A2BCD | FeGeIn2O | In2 Fe1 Ge1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.29205679,
0,
0
],
[
0,
4.71734894,
0
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[
0,
0,
5.29205679
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] | agm001533988 | [
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Ge",
"Fe",
"O",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
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[
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[
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] | -16.93673 | [
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | 3.55662 | 2.702833 | pbe | true | 7ddb4f1ee84b933fe0f6432253c753a9_123_In2Fe1Ge1O1 |
[
"Fe",
"Ge",
"Mn",
"Ru"
] | 4 | ABCD | FeGeMnRu | Mn1 Fe1 Ge1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.15025029,
0,
0
],
[
2.07512515,
3.59422218,
0
],
[
2.07512515,
1.19807406,
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]
] | agm001284834 | [
[
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2.0751251474999997,
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[
6.225375442500001,
3.59422218,
2.5414988775
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[
0,
0,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached"... | [
"Ru",
"Ge",
"Mn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
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[
0,
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[
0,
0,
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] | -32.112187 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.022586 | 3.13444 | pbe | true | 55414ce27d8e6070dde3f5f752696e42_216_Mn1Fe1Ge1Ru1 |
[
"Fe",
"H",
"O",
"Pu"
] | 10 | A6B2CD | FeH2O6Pu | Pu1 Fe1 H2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.12716627,
0.26772647,
-0.04613121
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[
2.7883911,
4.78284122,
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[
2.58536672,
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] | agm004949525 | [
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2.6358041064191453,
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[
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1.5029076604236886
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[
5.796490348550432,
5.662494536578018,
3.461794307155566
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": nu... | [
"Pu",
"Fe",
"H",
"H",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
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0.6,
0.1
] | [
[
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[
0.20871246,
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[
-0.096543,
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1.5135918
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] | -71.944037 | [
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0,
0,
-0.122,
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[
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[
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[
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[
-0.00573679,
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[
-0.00010485,
-0.0... | 4 | 2.130468 | pbe | true | 274cc7867882afada2652f2971e6e941_2_Pu1Fe1H2O6 |
[
"Fe",
"H",
"Ni",
"Zn"
] | 5 | A2BCD | FeHNi2Zn | Zn1 Fe1 Ni2 H1 | 4 | [
1,
1,
1
] | 3 | [
[
3.63920093,
0,
0
],
[
0,
3.63920093,
0
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[
0,
0,
3.70230254
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] | agm001630238 | [
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[
0,
0,
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Ni",
"Ni",
"Zn",
"Fe",
"H"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0
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[
0,
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[
0,
0,
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] | -24.983302 | [
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0.327,
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2.446,
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.956909 | 4.106651 | pbe | true | 7de65616ea84afa2ba402099b6d614ec_123_Zn1Fe1Ni2H1 |
[
"Fe",
"Hg",
"P",
"Sb"
] | 5 | A2BCD | FeHgP2Sb | Fe1 Hg1 Sb1 P2 | 4 | [
1,
1,
1
] | 3 | [
[
4.88427488,
0,
0
],
[
0,
5.69151764,
0
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[
0,
0,
4.88427488
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] | agm001536534 | [
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[
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[
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[
2.44213744,
0,
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],
[
2.44213744,
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2.44213744
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Hg",
"P",
"P",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0
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[
0,
2.7442412,
0
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[
0,
0,
1.4949256
]
] | -15.69196 | [
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3.34
] | [
[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.218209 | 5.900498 | pbe | true | 3e49fd03c0a086456f62090cbc4c93c4_123_Fe1Hg1Sb1P2 |
[
"Fe",
"Hg",
"Sc",
"Tl"
] | 5 | A2BCD | FeHgScTl2 | Sc1 Tl2 Fe1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.97510524,
0,
0
],
[
0,
4.97510524,
0
],
[
0,
0,
5.01936797
]
] | agm001420647 | [
[
2.48755262,
2.48755262,
2.509683985
],
[
0,
2.48755262,
0
],
[
2.48755262,
0,
0
],
[
0,
0,
2.509683985
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached"... | [
"Sc",
"Tl",
"Tl",
"Hg",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.7226217,
0,
0
],
[
0,
3.7226217,
0
],
[
0,
0,
3.8497682
]
] | -17.364145 | [
0,
0,
0,
0,
0.002
] | [
[
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[
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[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001024 | 8.326386 | pbe | true | c0d64dc53717986c5cafeb77c67a4e42_123_Sc1Tl2Fe1Hg1 |
[
"Fe",
"Ho",
"N",
"Pa"
] | 18 | A5B2CD | FeHoN5Pa2 | Ho2 Pa4 Fe2 N10 | 4 | [
1,
1,
1
] | 3 | [
[
3.345555,
0,
0
],
[
-1.6727775,
6.72451515,
0
],
[
0,
0,
10.11075193
]
] | agm005164300 | [
[
1.672777483272225,
4.0379441869935135,
5.07522033781301
],
[
1.6727775020201984e-8,
2.6865709630064867,
0.019844372813010998
],
[
1.6727774832722253,
4.883535693779351,
8.0976001132177
],
[
-1.1435180006813539e-17,
1.4359473165382741,
6.92717643657532
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ho",
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"Pa",
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"Fe",
"Fe",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.1111111111111111,
0.5555555555555556,
0.2222222222222222
] | [
[
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0
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[
0,
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0
],
[
0,
0,
0.93252844
]
] | -168.170106 | [
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0,
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0,
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1.474,
1.474,
0.003,
0,
0.007,
0.008,
0.044,
0.003,
0,
0.007,
0.008,
0.044
] | [
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0,
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[
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[
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[
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[
0,
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[
0,
-0.00012053,
... | 3.046435 | 8.58684 | pbe | true | 0a6a5822f82c4a0e989693b9354e3e69_36_Ho2Pa4Fe2N10 |
[
"Fe",
"Ir",
"Re",
"Te"
] | 5 | A2BCD | FeIrReTe2 | Fe1 Re1 Te2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
5.14443344,
0,
0
],
[
0,
4.64440346,
0
],
[
0,
0,
5.14443344
]
] | agm001455428 | [
[
2.57221672,
2.32220173,
2.57221672
],
[
0,
0,
0
],
[
0,
0,
2.57221672
],
[
2.57221672,
0,
0
],
[
0,
2.32220173,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached"... | [
"Re",
"Ir",
"Te",
"Te",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-2.570867,
0,
0
],
[
0,
5.122933,
0
],
[
0,
0,
-2.570867
]
] | -28.067744 | [
2.877,
0.151,
-0.073,
-0.127,
3.124
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 6.500515 | 5.339923 | pbe | true | 4e020ed0c24164efcdc01969e87b4d61_123_Fe1Re1Te2Ir1 |
[
"Fe",
"K",
"Se",
"Y"
] | 24 | A3BCD | FeKSe3Y | Fe1 K1 Se3 Y1 | 4 | [
1,
1,
1
] | 3 | [
[
15.121728695,
0,
0
],
[
0,
4.074616587,
0
],
[
0,
0,
11.026866168
]
] | oqmd-5588993 | [
[
7.414589999999998,
3.05596,
0.9053899999999998
],
[
14.975450000000004,
3.05596,
4.608049999999995
],
[
0.1462799999999999,
1.018649999999999,
6.418820000000001
],
[
7.707140000000001,
1.018649999999999,
10.12148
],
[
4.021999999999996,
1.018... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Se", "attached": ... | [
"Fe",
"Fe",
"Fe",
"Fe",
"K",
"K",
"K",
"K",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Y",
"Y",
"Y",
"Y"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
3.9716767,
0,
0
],
[
0,
3.63631598,
0
],
[
0,
0,
3.17481377
]
] | -134.59 | [
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3.225,
3.225,
0.003,
0.003,
0.003,
0.003,
0.024,
0.165,
0.105,
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0.165,
0.024,
0.024,
0.165,
0.105,
0.105,
0.165,
0.024,
0.03,
0.03,
0.03,
0.03
] | [
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[
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[
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[
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[
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[
0.00181,
0,
-0.009356
],
[
-0.00181,
0,
0.009356
],
[
-0.001... | 15.8385 | null | pbe | true | e8fcf67caaf394c518c0f84adacf5975_62_K4Y4Fe4Se12 |
[
"Fe",
"K",
"Pu",
"S"
] | 12 | A6B3C2D | FeK3Pu2S6 | K3 Pu2 Fe1 S6 | 4 | [
1,
1,
1
] | 3 | [
[
6.71555941,
-0.00375492,
-0.00484041
],
[
-3.35939757,
5.81491189,
-0.00484041
],
[
-1.12444079,
-1.94695675,
7.35941735
]
] | agm004643508 | [
[
-2.1997873649553306,
3.8470115452773754,
3.674868265
],
[
4.4315084149553305,
0.01718867472262442,
3.674868265
],
[
1.115860525,
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3.674868265
],
[
0.002817375614309243,
3.873106227606796,
-0.00484041
],
[
3.3533444643856907,
1.9380... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"K",
"Pu",
"Pu",
"Fe",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.25,
0.16666666666666666,
0.5
] | [
[
0.51536757,
0.0172021,
-0.01426033
],
[
0.0172021,
0.53521794,
-0.0246916
],
[
-0.01426055,
-0.02469198,
0.30696252
]
] | -79.30674 | [
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0.001,
0.001,
-4.928,
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0.544,
0.086,
0.087,
0.086,
0.086,
0.087,
0.086
] | [
[
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0
],
[
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0
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[
0,
0,
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[
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0
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[
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0
],
[
0,
0,
0
],
[
-0.00140207,
0.00255019,
0.00613611
],
[
0.0... | -9.00675 | 18.297781 | pbe | true | 3f0710116296b1696e671da4f42f3210_12_K3Pu2Fe1S6 |
[
"Fe",
"La",
"N",
"Pa"
] | 7 | A4BCD | FeLaN4Pa | La1 Pa1 Fe1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.73499405,
0,
0
],
[
0,
3.73499405,
0
],
[
-1.86749702,
-1.86749702,
6.40288327
]
] | agm005055941 | [
[
1.8674970077583468,
1.8674970077583468,
1.8354719678371545
],
[
3.6204457168077936e-9,
3.6204457168077936e-9,
4.636258240494688
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[
1.8674970484926323,
1.8674970484926323,
6.169385804207112
],
[
1.8674970299123572,
4.912357051648835e-9,
6.29064969031347... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pa", "attached"... | [
"La",
"Pa",
"Fe",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
0.14285714285714285
] | [
[
1.1133119,
0,
0
],
[
0,
1.1133119,
0
],
[
0,
0,
1.3437582
]
] | -63.241597 | [
0.026,
0.06,
1.586,
0.12,
0.12,
-0.006,
0.017
] | [
[
0,
0,
0.00176954
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[
0,
0,
-0.00014043
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[
0,
0,
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[
0,
0,
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[
0,
0,
-0.0009822
],
[
0,
0,
-0.00247619
],
[
0,
0,
0.0045811
]
] | 2.074815 | 2.541087 | pbe | true | 89c5db0a11c2ab36780db3ade097bc3c_107_La1Pa1Fe1N4 |
[
"Fe",
"La",
"Y",
"Zn"
] | 4 | ABCD | FeLaYZn | La1 Y1 Zn1 Fe1 | 4 | [
1,
1,
1
] | 3 | [
[
5.06174361,
0,
0
],
[
2.5308718,
4.38359855,
0
],
[
2.5308718,
1.46119952,
4.13289635
]
] | agm001913758 | [
[
2.5308718025,
1.4611995175,
1.0332240875
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[
0,
0,
0
],
[
5.061743605,
2.922399035,
2.066448175
],
[
7.592615407499999,
4.3835985525000005,
3.0996722625000004
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached"... | [
"Y",
"Zn",
"Fe",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.2572658,
0,
0
],
[
0,
2.2572658,
0
],
[
0,
0,
2.2572658
]
] | -21.195855 | [
-0.262,
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2.13,
-0.152
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.409004 | 3.634619 | pbe | true | d2ea7be194140b6e0b3608bb802cd310_216_La1Y1Zn1Fe1 |
[
"Fe",
"Li",
"Mn",
"O"
] | 15 | A8B3C3D | FeLi3Mn3O8 | Li3 Mn3 Fe1 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.9330865,
-0.02341628,
0.10432847
],
[
2.88155992,
5.18639337,
0.10432847
],
[
3.15746958,
1.84941543,
4.96074361
]
] | agm003217009 | [
[
4.5452780399999995,
0.9129995750000001,
2.53253604
],
[
0,
0,
0
],
[
3.01951475,
3.5179044,
2.53253604
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[
1.44077996,
2.593196685,
0.052164235
],
[
5.986058,
3.5061962600000003,
2.584700275
],
[
2.96654325,
-0.01170814,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Li",
"Li",
"Li",
"Mn",
"Mn",
"Mn",
"Fe",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.2,
0.2,
0.5333333333333333
] | [
[
1.2675308,
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0.29366642
],
[
-0.01231996,
1.2813483,
0.17200837
],
[
0.29366648,
0.1720084,
1.5275425
]
] | -97.483335 | [
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3.89,
3.233,
3.89,
3.079,
0.076,
-0.054,
-0.125,
0.076,
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] | [
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[
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[
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[
0,
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[
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[
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[
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[
0.00219449,
0.00128538,
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],
[
-0.00030972,
0.00097109,
-0.00314734
],
... | 13.999993 | 0.139259 | pbe | true | ef3f0fb7ea22c01e3f1b5fc6d60d9bbe_12_Li3Mn3Fe1O8 |
[
"Fe",
"Li",
"Mn",
"Ru"
] | 4 | ABCD | FeLiMnRu | Li1 Mn1 Fe1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.06618008,
0,
0
],
[
2.03309004,
3.52141525,
0
],
[
2.03309004,
1.17380508,
3.32002213
]
] | agm001912022 | [
[
2.03309004,
1.1738050825,
0.8300055325
],
[
4.06618008,
2.347610165,
1.660011065
],
[
6.09927012,
3.5214152475,
2.4900165975
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached"... | [
"Ru",
"Mn",
"Fe",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.3782077,
0,
0
],
[
0,
5.3782077,
0
],
[
0,
0,
5.3782077
]
] | -27.96114 | [
-0.104,
1.216,
2.501,
-0.039
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.590832 | 3.680985 | pbe | true | add686f044cdcdbc15020fcb32c3954b_216_Li1Mn1Fe1Ru1 |
[
"Fe",
"Li",
"Ru",
"Zn"
] | 4 | ABCD | FeLiRuZn | Li1 Zn1 Fe1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20587891,
0,
0
],
[
2.10293945,
3.64239798,
0
],
[
2.10293945,
1.21413267,
3.43408575
]
] | agm002342628 | [
[
2.1029394525000003,
1.2141326625,
0.8585214375
],
[
4.2058789050000005,
2.428265325,
1.717042875
],
[
0,
0,
0
],
[
6.3088183575,
3.6423979875,
2.5755643125
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Zn",
"Fe",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.24092,
0,
0
],
[
0,
5.24092,
1e-8
],
[
0,
1e-8,
5.24092
]
] | -20.693033 | [
0.517,
-0.012,
2.682,
-0.026
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 3.177007 | 3.335024 | pbe | true | 72971e0b2fd68ab47b3ada19eecfcadd_216_Li1Zn1Fe1Ru1 |
[
"Fe",
"Mn",
"Pu",
"Tc"
] | 4 | ABCD | FeMnPuTc | Pu1 Mn1 Fe1 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
4.46440925,
0,
0
],
[
2.23220463,
3.86629182,
0
],
[
2.23220463,
1.28876394,
3.64517489
]
] | agm001403376 | [
[
4.464409255,
2.57752788,
1.822587445
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[
6.696613882500001,
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[
0,
0,
0
],
[
2.2322046275,
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0.9112937225
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached"... | [
"Fe",
"Mn",
"Tc",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
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[
0,
5.4688954,
0
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[
0,
0,
5.4688954
]
] | -41.575428 | [
-1.598,
3.478,
-0.413,
4.814
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 6.539883 | 6.431157 | pbe | true | 186b46811a95785819b270527cf67ccc_216_Pu1Mn1Fe1Tc1 |
[
"Fe",
"Mn",
"Rb",
"S"
] | 12 | A3BCD | FeMnRbS3 | Rb2 Mn2 Fe2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
3.60792413,
0,
0
],
[
0,
8.42739666,
-0.88557229
],
[
0,
-3.19899397,
8.84066282
]
] | agm005035050 | [
[
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[
2.7059430974999996,
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[
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[
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[
0.90... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Rb",
"Rb",
"Mn",
"Mn",
"Fe",
"Fe",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] | [
[
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0
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[
0,
1.9485127,
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],
[
0,
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]
] | -70.390931 | [
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0,
3.279,
3.279,
-2.562,
-2.562,
-0.1,
-0.1,
-0.086,
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[
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[
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[
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[
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[
0,
0.00503597,
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[
0,
0.00104921,
0... | 0.71075 | 6.276367 | pbe | true | 00154e4e833601d78d585a91d03b698e_11_Rb2Mn2Fe2S6 |
[
"Fe",
"Mn",
"Ta",
"Ti"
] | 20 | A5B2C2D | Fe2MnTa2Ti5 | Ta4 Ti10 Mn2 Fe4 | 4 | [
1,
1,
1
] | 3 | [
[
3.00752885,
0,
0
],
[
0,
10.0507902,
0
],
[
0,
0,
10.0507902
]
] | agm005131023 | [
[
0,
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1.825423712060784
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[
0,
3.199971387939216,
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[
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[
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6.850818812060784
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[
1.503764425,
1.9766241815451118,
0.52457033957889
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[... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ta",
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"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Mn",
"Mn",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.2,
0.5
] | [
[
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0,
0
],
[
0,
4.298124,
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],
[
0,
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] | -180.640363 | [
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0,
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0,
0,
0,
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] | [
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[
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[
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[
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[
0,
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[
0,
-0.00266225,
... | 0.000003 | 21.72205 | pbe | true | 6552681f09eb196f2dacfa84cd4fb6cc_127_Ta4Ti10Mn2Fe4 |
[
"Fe",
"N",
"Nb",
"Sn"
] | 5 | A2BCD | FeNNbSn2 | Nb1 Fe1 Sn2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.30278633,
0,
0
],
[
0,
3.34386997,
0
],
[
0,
0,
5.30278633
]
] | agm001500683 | [
[
2.651393165,
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2.651393165
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[
0,
1.671934985,
0
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[
0,
0,
2.651393165
],
[
2.651393165,
0,
0
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[
0,
0,
0
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Fe", "attached"... | [
"Nb",
"N",
"Sn",
"Sn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.7367274,
0,
0
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[
0,
0.09811173,
0
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[
0,
0,
1.7367274
]
] | -32.327965 | [
0.98,
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-0.018,
1.152
] | [
[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.404671 | 5.940069 | pbe | true | 74261b778e0e35ea914bd4f04e2d6a9a_123_Nb1Fe1Sn2N1 |
[
"Fe",
"N",
"O",
"S"
] | 5 | A2BCD | FeNO2S | Fe1 S1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.59258703,
0,
0
],
[
0,
3.59258703,
0
],
[
0,
0,
3.94470185
]
] | agm001751009 | [
[
1.796293515,
1.796293515,
1.972350925
],
[
0,
0,
0
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[
0,
1.796293515,
0
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[
1.796293515,
0,
0
],
[
0,
0,
1.972350925
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": nu... | [
"S",
"Fe",
"O",
"O",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.5124745,
0,
0
],
[
0,
0.5124745,
0
],
[
0,
0,
0.84445935
]
] | -22.651394 | [
0.122,
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-0.091,
-0.091,
-0.287
] | [
[
0,
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0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0.636066 | 2.878545 | pbe | true | 5ebf2bb50478fa44c06127dbe295f5d1_123_Fe1S1N1O2 |
[
"Fe",
"Na",
"Si",
"Sn"
] | 5 | A2BCD | FeNa2SiSn | Na2 Fe1 Si1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.21726732,
0,
0
],
[
0,
4.44240239,
0
],
[
0,
0,
5.21726732
]
] | agm001452090 | [
[
0,
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2.60863366
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[
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0,
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[
0,
2.221201195,
0
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[
2.60863366,
2.221201195,
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],
[
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0,
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"Si",
"Sn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
10.1431,
0,
0
],
[
0,
12.884482,
0
],
[
0,
0,
10.1431
]
] | -17.71506 | [
0.001,
0.006,
-0.082,
0.027,
2.274
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.280554 | 3.825278 | pbe | true | 2c5aea82d147ef571480940d18788064_123_Na2Fe1Si1Sn1 |
[
"Fe",
"Nb",
"Os",
"Zr"
] | 4 | ABCD | FeNbOsZr | Zr1 Nb1 Fe1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.52494913,
0,
0
],
[
2.26247456,
3.91872089,
0
],
[
2.26247456,
1.3062403,
3.69460549
]
] | agm001397982 | [
[
6.7874236875000005,
3.9187208925,
2.7709541174999996
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[
4.524949125,
2.612480595,
1.847302745
],
[
0,
0,
0
],
[
2.2624745625,
1.3062402975,
0.9236513725
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Fe", "attached"... | [
"Nb",
"Os",
"Fe",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.2992117,
0,
0
],
[
0,
3.2992117,
0
],
[
0,
0,
3.2992117
]
] | -39.271849 | [
-0.254,
0.043,
1.537,
-0.162
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.01547 | 2.709632 | pbe | true | 5895b2818460231e6c1906782d6b1f82_216_Zr1Nb1Fe1Os1 |
[
"Fe",
"Nb",
"Tl",
"Zr"
] | 5 | A2BCD | Fe2NbTlZr | Zr1 Nb1 Tl1 Fe2 | 4 | [
1,
1,
1
] | 3 | [
[
4.42334277,
0,
0
],
[
0,
5.30538273,
0
],
[
0,
0,
4.42334277
]
] | agm001589534 | [
[
0,
2.652691365,
0
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[
0,
0,
0
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[
2.211671385,
2.652691365,
2.211671385
],
[
0,
0,
2.211671385
],
[
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0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached"... | [
"Tl",
"Nb",
"Zr",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.5685935,
0,
0
],
[
0,
3.385376,
0
],
[
0,
0,
3.5685935
]
] | -31.840455 | [
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000008 | 6.523188 | pbe | true | f343ee9b9e9b1eb05d92f73265815763_123_Zr1Nb1Tl1Fe2 |
[
"Fe",
"Np",
"Pa",
"S"
] | 18 | A5B2CD | FeNp2PaS5 | Np4 Pa2 Fe2 S10 | 4 | [
1,
1,
1
] | 3 | [
[
3.71367401,
0,
0
],
[
-1.85683701,
8.12196954,
0
],
[
0,
0,
11.80464196
]
] | agm005159942 | [
[
1.8568369824878581,
6.4062388052424994,
10.03564801341705
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[
1.7368517591389348e-8,
1.9490330102788747,
8.186671951326963
],
[
1.7512141816003378e-8,
1.715730734757501,
4.133327033417052
],
[
1.8568369826314823,
6.172936529721126,
2.2843509713269623
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pa", "attached": ... | [
"Np",
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"Fe",
"Fe",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.1111111111111111,
0.5555555555555556
] | [
[
0.651842,
0,
0
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[
0,
0.5332858,
0
],
[
0,
0,
0.43223968
]
] | -152.312407 | [
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3.85,
0.63,
0.63,
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] | [
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[
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[
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[
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[
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[
0,
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[
0,
-0.00657676,
-... | 13.358033 | 35.75974 | pbe | true | 18cd912e74f10249a460015b56c63cbe_36_Np4Pa2Fe2S10 |
[
"Fe",
"Np",
"P",
"Tc"
] | 12 | A2B2CD | FeNpP2Tc2 | Np2 Fe2 Tc4 P4 | 4 | [
1,
1,
1
] | 3 | [
[
3.94216421,
0,
0
],
[
0,
5.73773034,
0
],
[
0,
0,
7.85456455
]
] | agm004740743 | [
[
0,
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3.371006697168127
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[
0,
2.51830436268376,
4.483557852831873
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[
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[
1.971082105,
3.809278943216786,
2.276167191836405
],
[
1.971082105,
0.18151384521084418,
0.530... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Np",
"Fe",
"Fe",
"Tc",
"Tc",
"Tc",
"Tc",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
] | [
[
2.4273255,
0,
0
],
[
0,
2.4915066,
0
],
[
0,
0,
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]
] | -111.608101 | [
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-0.231,
0.005,
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0.005,
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] | [
[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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],
[
0,
-0.00151495,
... | 2.48116 | 13.236289 | pbe | true | 45d71ca461e399473685c6b3d475217f_26_Np2Fe2Tc4P4 |
[
"Fe",
"O",
"Rh",
"Tl"
] | 10 | A6B2CD | FeO6RhTl2 | Tl2 Fe1 Rh1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.55184524,
0.00008129,
0.0001074
],
[
2.77597881,
4.80806966,
-0.00006441
],
[
2.7758772,
1.60288981,
4.58614564
]
] | agm004952392 | [
[
5.5518601229808695,
3.205488631646641,
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],
[
2.7758826966648265,
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[
2.7759260867340134,
1.6027209881851374,
0.2219697854950814
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Tl",
"Tl",
"Fe",
"Rh",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
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0.1,
0.2
] | [
[
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[
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],
[
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]
] | -55.893772 | [
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0.012,
4.286,
0.121,
0.066,
0.066,
0.066,
0.088,
0.088,
0.088
] | [
[
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[
3e-8,
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[
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[
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[
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[
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... | 4.983358 | 2.411756 | pbe | true | 1586a990d553f0d729a6c980dd84d0a1_146_Tl2Fe1Rh1O6 |
[
"Fe",
"Pt",
"Rh",
"V"
] | 18 | A5B2CD | FePtRh5V2 | V4 Fe2 Pt2 Rh10 | 4 | [
1,
1,
1
] | 3 | [
[
7.01195767,
0,
0
],
[
0,
7.01195767,
0
],
[
-3.50597883,
-3.50597883,
5.51237394
]
] | agm005176009 | [
[
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0
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[
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0
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[
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[
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4.283595193981839,
0
],
[
2.4999999848063226e-9,
2.4999999848063226e-9,
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"V",
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"Pt",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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] | [
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[
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1e-8
],
[
1e-8,
1e-8,
12.872025
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] | -135.99564 | [
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3.209,
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0.062,
0.062,
0.06,
0.06,
0.06,
0.06,
0.06,
0.06,
0.06,
0.06,
0.03,
0.03
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[
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[
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[
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[
0.00371933... | 6.989587 | 20.47005 | pbe | true | 91914599e21f885417c0e147ed383223_140_V4Fe2Pt2Rh10 |
[
"Fe",
"Pt",
"Rh",
"V"
] | 4 | ABCD | FePtRhV | V1 Fe1 Pt1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
3.8131298,
0,
0
],
[
0,
3.72145965,
0
],
[
0,
0,
3.88018574
]
] | agm005179327 | [
[
0,
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[
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0
],
[
0,
0,
0
],
[
1.9065649,
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"V",
"Fe",
"Pt",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
11.191823,
0,
0
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[
0,
11.40487,
0
],
[
0,
0,
10.357687
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] | -32.608487 | [
-1.282,
2.678,
0.152,
0.328
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 1.730433 | 2.177434 | pbe | true | 1857011568af251abf670cb41572ef40_47_V1Fe1Pt1Rh1 |
[
"Fe",
"Rb",
"Se",
"Sr"
] | 5 | A2BCD | FeRbSeSr2 | Rb1 Sr2 Fe1 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
5.62041669,
0,
0
],
[
0,
5.70606389,
0
],
[
0,
0,
5.62041669
]
] | agm001436650 | [
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0,
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[
2.810208345,
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0
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[
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2.810208345
],
[
0,
2.853031945,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached"... | [
"Sr",
"Sr",
"Se",
"Rb",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0
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[
0,
0.55629766,
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[
0,
0,
0.4422237
]
] | -15.219045 | [
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0.001,
1.931
] | [
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.173885 | 2.782325 | pbe | true | b391cd69105086ab196de438e461244e_123_Rb1Sr2Fe1Se1 |
[
"Fe",
"Se",
"Tl",
"U"
] | 12 | A3BCD | FeSe3TlU | U2 Tl2 Fe2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
3.97679982,
0,
0
],
[
0,
9.29146759,
-0.34612236
],
[
0,
-2.79892666,
9.111803
]
] | agm005034297 | [
[
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1.2076401810530777
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[
2.982599865,
0.6662747521434217,
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[
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],
[
2.982599865,
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6.647521449434229
],
[
0.994199955,
-1.07123... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "U", "attached":... | [
"U",
"U",
"Tl",
"Tl",
"Fe",
"Fe",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.16666666666666666,
0.16666666666666666
] | [
[
1.5736973,
0,
0
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[
0,
1.4152349,
0.07313628
],
[
0,
0.07313636,
1.709825
]
] | -73.343786 | [
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-0.002,
-0.002,
2.801,
2.801,
-0.025,
-0.025,
0.038,
0.038,
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] | [
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0,
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[
0,
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[
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[
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[
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[
0,
0.00233583,
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[
0,
-0.00362952,
... | 10.591198 | 12.118193 | pbe | true | ab7c23e666bfbc4b7abbe0ce51c75b34_11_U2Tl2Fe2Se6 |
[
"Ga",
"Gd",
"Pb",
"Th"
] | 4 | ABCD | GaGdPbTh | Gd1 Th1 Ga1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.37939501,
0,
0
],
[
2.68969751,
4.65869274,
0
],
[
2.68969751,
1.55289758,
4.39225764
]
] | agm001918191 | [
[
5.379395015,
3.10579516,
2.19612882
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[
2.6896975075,
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1.09806441
],
[
0,
0,
0
],
[
8.0690925225,
4.65869274,
3.2941932300000003
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Th", "attached"... | [
"Pb",
"Gd",
"Ga",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.254942,
0,
0
],
[
0,
2.254942,
0
],
[
0,
0,
2.254942
]
] | -29.524393 | [
0.016,
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0.018,
-0.12
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -7.534642 | 4.503197 | pbe | true | 6c87e47220e491e476b428e69c53154c_216_Gd1Th1Ga1Pb1 |
[
"Ga",
"Ge",
"La",
"Pm"
] | 4 | ABCD | GaGeLaPm | La1 Pm1 Ga1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.25479129,
0,
0
],
[
2.62739564,
4.55078275,
0
],
[
2.62739564,
1.51692758,
4.29051912
]
] | agm001287233 | [
[
7.882186927499999,
4.5507827475,
3.21788934
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[
5.254791285,
3.033855165,
2.14525956
],
[
2.6273956425,
1.5169275825,
1.07262978
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached"... | [
"Ge",
"La",
"Ga",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.8077188,
0,
0
],
[
0,
1.8077188,
0
],
[
0,
0,
1.8077188
]
] | -19.70137 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.233153 | pbe | true | eeeb3fe2e906250a63133e3f8caae717_216_La1Pm1Ga1Ge1 |
[
"Ga",
"H",
"O",
"P"
] | 5 | A2BCD | GaHO2P | Ga1 P1 H1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.61420159,
0,
0
],
[
0,
3.61420159,
0
],
[
0,
0,
5.81545041
]
] | agm001753485 | [
[
0,
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[
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[
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0
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[
0,
0,
0
],
[
1.807100795,
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2.907725205
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ga", "attached": nu... | [
"P",
"O",
"O",
"Ga",
"H"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
],
[
0,
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0
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[
0,
0,
1.0576009
]
] | -19.751752 | [
0.308,
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] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.827481 | 1.767743 | pbe | true | f88015dac21d1a65868ccaef7ae6d404_123_Ga1P1H1O2 |
[
"Ga",
"Hg",
"K",
"Sb"
] | 5 | A2BCD | GaHg2KSb | K1 Ga1 Hg2 Sb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.56635484,
0,
0
],
[
0,
5.56635484,
0
],
[
0,
0,
5.45099872
]
] | agm001636415 | [
[
0,
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[
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],
[
0,
2.78317742,
0
],
[
2.78317742,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Sb",
"K",
"Hg",
"Hg",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.210911,
0,
0
],
[
0,
2.210911,
0
],
[
0,
0,
2.342418
]
] | -9.153069 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.599993 | pbe | true | 841ffbcaac8f61eafbb16817f0fc2307_123_K1Ga1Hg2Sb1 |
[
"Ga",
"Hg",
"Mn",
"Rb"
] | 5 | A2BCD | GaHgMn2Rb | Rb1 Mn2 Ga1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.64522511,
0,
0
],
[
0,
5.70707848,
0
],
[
0,
0,
5.64522511
]
] | agm001600753 | [
[
0,
2.85353924,
0
],
[
0,
0,
2.822612555
],
[
2.822612555,
0,
0
],
[
0,
0,
0
],
[
2.822612555,
2.85353924,
2.822612555
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rb", "attached"... | [
"Ga",
"Mn",
"Mn",
"Hg",
"Rb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-36.34651,
0,
0
],
[
0,
-25.171246,
0
],
[
0,
0,
-36.34651
]
] | -18.363309 | [
-0.072,
4.323,
4.13,
-0.036,
-0.01
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.718606 | 4.451861 | pbe | true | b2c142d64badeb559e31edacb3b4b80a_123_Rb1Mn2Ga1Hg1 |
[
"Ga",
"Ho",
"Li",
"Zn"
] | 7 | A2B2C2D | Ga2HoLi2Zn2 | Li2 Ho1 Zn2 Ga2 | 4 | [
1,
1,
1
] | 3 | [
[
4.38862328,
0,
0
],
[
-2.19431164,
3.78033632,
-0.3313901
],
[
0,
-1.90761914,
7.81771279
]
] | agm004555613 | [
[
-0.0000021943116400396185,
0.2635084474008628,
3.1217869887869014
],
[
2.19431383431164,
1.6092087325991373,
4.364535701213098
],
[
0,
0,
0
],
[
2.1943094237452434,
-0.8070059087911722,
5.839087134597936
],
[
0.000002216254756437924,
2.679723... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached"... | [
"Li",
"Li",
"Ho",
"Zn",
"Zn",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.2857142857142857,
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[
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2.33015,
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],
[
0,
0.1844966,
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]
] | -19.543233 | [
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0,
0,
0,
0
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[
0,
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]
] | -0 | 2.480021 | pbe | true | 804b00fac370c20b5d959b3ed9b5b180_12_Li2Ho1Zn2Ga2 |
[
"Ga",
"Ho",
"Pd",
"Pr"
] | 10 | A4B3C2D | Ga3HoPd4Pr2 | Pr2 Ho1 Ga3 Pd4 | 4 | [
1,
1,
1
] | 3 | [
[
4.31641026,
0,
0
],
[
0,
4.31641026,
0
],
[
0,
0,
11.26756208
]
] | agm004534135 | [
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0,
2.15820513,
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],
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5.63378104
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0,
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[
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pr",
"Pr",
"Ho",
"Ga",
"Ga",
"Ga",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3,
0.1,
0.4,
0.2
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0
],
[
0,
4.4440126,
0
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[
0,
0,
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0,
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0,
0,
0,
0,
0,
0,
0
] | [
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[
0,
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0.00171082
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[
0,... | -0.00001 | 7.774551 | pbe | true | 52ef796360ef073c607f182bb27dbc2a_115_Pr2Ho1Ga3Pd4 |