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",
"Ge",
"Ta",
"Tc"
] | 5 | A2BCD | CuGeTa2Tc | Ta2 Tc1 Cu1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
4.76947057,
0,
0
],
[
0,
4.17175182,
0
],
[
0,
0,
4.76947057
]
] | agm001510154 | [
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0
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[
2.384735285,
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[
0,
2.08587591,
0
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[
0,
0,
2.384735285
],
[
2.384735285,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached"... | [
"Ge",
"Tc",
"Cu",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-1.4332175,
0,
0
],
[
0,
-2.1727583,
0
],
[
0,
0,
-1.4332175
]
] | -37.166501 | [
0.035,
1.503,
0.036,
-0.159,
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0,
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0
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.311485 | 3.075283 | pbe | true | c574bb68b2a9a7757f1d27e2da80abb6_123_Ta2Tc1Cu1Ge1 |
[
"Cu",
"H",
"In",
"V"
] | 5 | A2BCD | CuHInV2 | V2 In1 Cu1 H1 | 4 | [
1,
1,
1
] | 3 | [
[
3.76441809,
0,
0
],
[
0,
3.76441809,
0
],
[
0,
0,
4.34618942
]
] | agm001669413 | [
[
0,
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[
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0
],
[
0,
0,
2.17309471
],
[
1.882209045,
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]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Cu", "attached": ... | [
"H",
"V",
"V",
"Cu",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-0.49856138,
0,
0
],
[
0,
-0.49856138,
0
],
[
0,
0,
-0.56462824
]
] | -28.285534 | [
0,
0,
0,
0,
0
] | [
[
0,
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000019 | 2.122393 | pbe | true | 64d875e562581d02eb949efbf3577062_123_V2In1Cu1H1 |
[
"Cu",
"H",
"Ir",
"Li"
] | 5 | A2BCD | CuHIrLi2 | Li2 Cu1 H1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
3.76746018,
0,
0
],
[
0,
3.7167909,
0
],
[
0,
0,
3.76746018
]
] | agm001600453 | [
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0,
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0
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[
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1.88373009
],
[
0,
0,
1.88373009
],
[
1.88373009,
0,
0
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Li", "attached": ... | [
"H",
"Ir",
"Cu",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-8.136099,
0,
0
],
[
0,
7.0883207,
0
],
[
0,
0,
-8.136099
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] | -20.914642 | [
0,
0,
0,
0,
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
]
] | 0 | 1.572796 | pbe | true | 5c5cf9c4b0e5c262692af6e1f81ce5a2_123_Li2Cu1H1Ir1 |
[
"Cu",
"H",
"Pd",
"Te"
] | 5 | A2BCD | CuHPd2Te | Cu1 Te1 H1 Pd2 | 4 | [
1,
1,
1
] | 3 | [
[
4.22892988,
0,
0
],
[
0,
4.22892988,
0
],
[
0,
0,
3.89621775
]
] | agm001619609 | [
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0,
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[
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[
0,
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],
[
0,
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0
],
[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached": ... | [
"H",
"Te",
"Cu",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-1.6145554,
0,
0
],
[
0,
-1.6145554,
0
],
[
0,
0,
-1.9365822
]
] | -21.360186 | [
0,
0,
0,
0,
0
] | [
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0,
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0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.663454 | pbe | true | 723e4fb482e1545df81e7a18eaf18d7d_123_Cu1Te1H1Pd2 |
[
"Cu",
"H",
"Tc",
"Ti"
] | 5 | A2BCD | CuH2TcTi | Ti1 Tc1 Cu1 H2 | 4 | [
1,
1,
1
] | 3 | [
[
3.48711858,
0,
0
],
[
0,
4.73427881,
0
],
[
0,
0,
3.48711858
]
] | agm001441103 | [
[
0,
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[
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0,
0
],
[
0,
0,
0
],
[
0,
2.367139405,
0
],
[
1.74355929,
2.367139405,
1.74355929
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Cu", "attached": ... | [
"H",
"H",
"Tc",
"Cu",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.2075856,
0,
0
],
[
0,
-7.9071007,
0
],
[
0,
0,
2.2075856
]
] | -26.71523 | [
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.503913 | pbe | true | 333e738bf3cec7ed6cf588752046d449_123_Ti1Tc1Cu1H2 |
[
"Cu",
"Hf",
"Rh",
"Sc"
] | 4 | ABCD | CuHfRhSc | Hf1 Sc1 Cu1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.6026796,
0,
0
],
[
2.3013398,
3.98603746,
0
],
[
2.3013398,
1.32867915,
3.75807216
]
] | agm001343801 | [
[
0,
0,
0
],
[
6.9040194,
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2.81855412
],
[
4.6026796,
2.657358305,
1.87903608
],
[
2.3013398,
1.3286791525,
0.93951804
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Rh", "attached"... | [
"Sc",
"Rh",
"Hf",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-1.5483311,
0,
0
],
[
0,
-1.5483311,
0
],
[
0,
0,
-1.5483311
]
] | -30.023069 | [
0,
0,
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0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.267309 | pbe | true | cf87dfe0f839e03991b3f06807f89e5c_216_Hf1Sc1Cu1Rh1 |
[
"Cu",
"Hg",
"In",
"Li"
] | 4 | ABCD | CuHgInLi | Li1 In1 Cu1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.6373373,
0,
0
],
[
2.31866865,
4.01605191,
0
],
[
2.31866865,
1.33868397,
3.78637005
]
] | agm001342974 | [
[
6.956005950000001,
4.01605191,
2.8397775375
],
[
0,
0,
0
],
[
2.31866865,
1.33868397,
0.9465925125
],
[
4.6373373,
2.67736794,
1.893185025
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
"Hg",
"Cu",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.608817,
0,
0
],
[
0,
-2.608817,
0
],
[
0,
0,
-2.608817
]
] | -9.543346 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.444799 | pbe | true | 41144b71e7f22568daae5fdbee1dde31_216_Li1In1Cu1Hg1 |
[
"Cu",
"Hg",
"Pr",
"Sc"
] | 4 | ABCD | CuHgPrSc | Pr1 Sc1 Cu1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.09485993,
0,
0
],
[
2.54742996,
4.41227812,
0
],
[
2.54742996,
1.47075937,
4.15993571
]
] | agm001343983 | [
[
7.6422898875000005,
4.4122781175,
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[
2.5474299625000003,
1.4707593724999999,
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],
[
5.094859925000001,
2.9415187449999998,
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],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Sc",
"Hg",
"Cu"
] | 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,
-1.8494496,
0
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[
0,
0,
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] | -16.470583 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000009 | 3.607108 | pbe | true | 08271616b148862f7933001d506c897f_216_Pr1Sc1Cu1Hg1 |
[
"Cu",
"Hg",
"Se",
"Y"
] | 9 | A4B3CD | Cu3HgSe4Y | Y1 Cu3 Hg1 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
6.07582902,
0,
0
],
[
0,
6.07582902,
0
],
[
0,
0,
6.07582902
]
] | agm005287528 | [
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[
1.514283788076106,
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[
4.561545231923893,
4.561545231... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached"... | [
"Y",
"Cu",
"Cu",
"Cu",
"Hg",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.1111111111111111,
0.4444444444444444,
0.1111111111111111
] | [
[
-1.1700958,
0,
0
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[
0,
-1.1700958,
0
],
[
0,
0,
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] | -36.857435 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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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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0.00022881,
-0.00022881
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[
-0.00022881,
0.00022881,
0.00022881
],
... | 0.000001 | 0.806714 | pbe | true | 99443d178f3e06519cf4b6f3bc3e2993_215_Y1Cu3Hg1Se4 |
[
"Cu",
"Ho",
"Sm",
"Te"
] | 18 | A5B2CD | CuHoSm2Te5 | Sm4 Ho2 Cu2 Te10 | 4 | [
1,
1,
1
] | 3 | [
[
4.27779792,
0,
0
],
[
-2.13889896,
9.46621214,
0
],
[
0,
0,
12.96870102
]
] | agm005158096 | [
[
2.1388989600000006,
7.112889651059592,
10.444921122087441
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[
2.0285830340299056e-18,
2.065460468166049,
8.8870617479754
],
[
2.91349602738876e-17,
2.3533224889404076,
3.9605706120874404
],
[
2.1388989600000006,
7.400751671833951,
2.4027112379754
],
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached"... | [
"Sm",
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"Sm",
"Ho",
"Ho",
"Cu",
"Cu",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.1111111111111111,
0.2222222222222222,
0.5555555555555556
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -88.817497 | [
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0,
0,
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0,
0,
0,
0,
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,
-0.00258731,
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[
0,
-0.00466913,
-0.... | 0 | 0.285789 | pbe | true | 47101e5b931d953bfcbfe2ec313802be_36_Sm4Ho2Cu2Te10 |
[
"Cu",
"Ho",
"S",
"Zr"
] | 18 | A5B2CD | CuHo2S5Zr | Ho4 Zr2 Cu2 S10 | 4 | [
1,
1,
1
] | 3 | [
[
3.71671686,
0,
0
],
[
-1.85835843,
8.09509969,
0
],
[
0,
0,
11.4855959
]
] | agm005157789 | [
[
1.8583584300000002,
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9.451660765563492
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[
1.8583584274283852e-8,
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],
[
2.0631485372587122e-17,
2.0501401764843483,
3.708862815563493
],
[
1.8583584114164158,
6.268616675271751,
2.194533397955929
... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ho", "attached": ... | [
"Ho",
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"Zr",
"Cu",
"Cu",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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] | [
[
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[
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[
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... | 0.000009 | 2.299359 | pbe | true | ae7bb62baaf1caa0bc75cdcaf1661f65_36_Ho4Zr2Cu2S10 |
[
"Cu",
"I",
"Li",
"Tl"
] | 20 | A6B2CD | Cu2I6LiTl | Li2 Tl2 Cu4 I12 | 4 | [
1,
1,
1
] | 3 | [
[
7.46454407,
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] | agm004979601 | [
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... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": ... | [
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[
0.0... | 0 | 20.560099 | pbe | true | 9330170b73fbddd6c1989f4ff3f4449b_15_Li2Tl2Cu4I12 |
[
"Cu",
"I",
"Rb",
"Tc"
] | 5 | A2BCD | CuI2RbTc | Rb1 Cu1 Tc1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
6.73455183,
0,
0
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[
0,
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[
0,
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] | agm001590865 | [
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] | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Tc", "attached"... | [
"I",
"I",
"Cu",
"Tc",
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] | 2023-11-16 06:57:59 | [
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] | -11.179079 | [
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] | 4.995445 | 5.63808 | pbe | true | 695205478f57bd1ef88954cc8988fcb3_123_Rb1Cu1Tc1I2 |
[
"Cu",
"In",
"Pb",
"Se"
] | 9 | A4B3CD | Cu3InPbSe4 | Cu3 In1 Pb1 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
6.19013575,
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[
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] | mp-1181068 | [
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... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached"... | [
"In",
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"Cu",
"Cu",
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"Se",
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] | 2019-01-11 10:09:25 | [
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-0.03... | 0 | 4.10613 | pbe | true | 3e3844e5493e1d3ecf405de58cf12489_215_In1Cu3Pb1Se4 |
[
"Cu",
"In",
"Pt",
"U"
] | 4 | ABCD | CuInPtU | U1 In1 Cu1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78547123,
0,
0
],
[
2.39273562,
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0
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[
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] | agm001298104 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Cu", "attached": ... | [
"U",
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] | 2023-11-16 06:57:59 | [
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[
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] | 1.896422 | 7.660383 | pbe | true | 7df1227463ee7dcf158527231dcb9f6d_216_U1In1Cu1Pt1 |
[
"Cu",
"Ir",
"K",
"O"
] | 9 | A6BCD | CuIrKO6 | K1 Cu1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
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0.16840558
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[
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] | agm005093359 | [
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": nu... | [
"K",
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.001... | 0.978131 | 4.225191 | pbe | true | c0eb16c1e90a2af41b62d707620ea343_5_K1Cu1Ir1O6 |
[
"Cu",
"K",
"S",
"Tb"
] | 9 | A4B2C2D | Cu2K2S4Tb | K2 Tb1 Cu2 S4 | 4 | [
1,
1,
1
] | 3 | [
[
3.89203545,
-0.00079402,
-0.00032291
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[
0.0029736,
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[
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] | agm002311295 | [
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[
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4.886140965... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Tb",
"S",
"S",
"S",
"S",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
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0.4444444444444444,
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[
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... | 0 | 5.183234 | pbe | true | c97a1512b976309b11bc82a8da7bd434_12_K2Tb1Cu2S4 |
[
"Cu",
"La",
"Se",
"Sr"
] | 12 | A3BCD | CuLaSe3Sr | Sr2 La2 Cu2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
4.21464708,
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0
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[
-2.10628718,
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0
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[
0,
0,
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] | agm002268763 | [
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[
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[
0.001810849527995430... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached"... | [
"Sr",
"Sr",
"Cu",
"Cu",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"La",
"La"
] | 2023-11-16 06:57:59 | [
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] | -61.449276 | [
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[
0.00040414,... | 0 | 0 | pbe | true | 3c173d653636d87a8a51d29867ba768f_63_Sr2La2Cu2Se6 |
[
"Cu",
"Li",
"Ni",
"Si"
] | 4 | ABCD | CuLiNiSi | Cu1 Li1 Ni1 Si1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
2.810225,
2.810225
],
[
2.810225,
0,
2.810225
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[
2.810225,
2.810225,
0
]
] | oqmd-3066518 | [
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0,
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[
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[
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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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached"... | [
"Cu",
"Li",
"Ni",
"Si"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
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0
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[
0,
13.40086,
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[
0,
0,
13.40086
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] | -18.0237 | [
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[
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[
0,
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[
0,
0,
0
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] | 0.004081 | null | pbe | true | f196f7466782a9ad4a8c5511076de8d5_216_Li1Cu1Si1Ni1 |
[
"Cu",
"Li",
"Nd",
"Ni"
] | 4 | ABCD | CuLiNdNi | Li1 Nd1 Cu1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
4.70814137,
0,
0
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[
2.35407069,
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0
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[
2.35407069,
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] | agm001340663 | [
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[
2.3540706875,
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[
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cu", "attached"... | [
"Ni",
"Nd",
"Cu",
"Li"
] | 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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] | -16.624385 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000004 | 3.622333 | pbe | true | 31b1c0a0e5a4715a68ff05929f8bf383_216_Li1Nd1Cu1Ni1 |
[
"Cu",
"Li",
"O",
"Sn"
] | 16 | A4B2CD | CuLi2O4Sn | Li4 Cu2 Sn2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.3272507,
0.05212433,
0.00896188
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[
0.65271289,
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[
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[
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0.000... | 2.005156 | -0.065011 | pbe | true | c8ab3b91bf8d0ed6140f7c6cc11fe051_74_Li4Cu2Sn2O8 |
[
"Cu",
"Li",
"Sm",
"Sn"
] | 4 | ABCD | CuLiSmSn | Li1 Sm1 Cu1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.38968428,
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0
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[
2.38968428,
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] | agm001332490 | [
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cu", "attached"... | [
"Cu",
"Sn",
"Sm",
"Li"
] | 2023-11-16 06:57:59 | [
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] | -0.000008 | 1.497855 | pbe | true | c2776baca90d9f6896416c77e3e08279_216_Li1Sm1Cu1Sn1 |
[
"Cu",
"Mg",
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] | 8 | A4B2CD | Cu2MgMnS4 | Mg1 Mn1 Cu2 S4 | 4 | [
1,
1,
1
] | 3 | [
[
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0.22397941,
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[
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[
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] | agm004872870 | [
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[
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2.65414... | [{"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": "Mg", "attached": ... | [
"Mg",
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-0.001... | 2.993172 | 2.511484 | pbe | true | 36bf723dde80f4779ce9c4f8f44b424f_121_Mg1Mn1Cu2S4 |
[
"Cu",
"Mg",
"Pm",
"Zn"
] | 10 | A6B2CD | Cu6MgPm2Zn | Pm2 Mg1 Zn1 Cu6 | 4 | [
1,
1,
1
] | 3 | [
[
6.45026688,
0.35500472,
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[
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[
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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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
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"Zn",
"Cu",
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[
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-0.00... | -0 | 6.635197 | pbe | true | d100bf37bb5706b24e08a0f98b567c6a_2_Pm2Mg1Zn1Cu6 |
[
"Cu",
"Mn",
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"S"
] | 16 | A4B2CD | CuMn2NaS4 | Na2 Mn4 Cu2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
6.68849822,
0
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[
0,
0,
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] | agm004778504 | [
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[
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4.4... | [{"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": "Na", "attached": ... | [
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"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
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... | 16.000008 | 6.310597 | pbe | true | a0d88049924468fba5024c0c1f8e321e_31_Na2Mn4Cu2S8 |
[
"Cu",
"Mn",
"O",
"Sm"
] | 20 | A6B2CD | CuMnO6Sm2 | Sm4 Mn2 Cu2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.40134348,
0,
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[
0,
5.79579632,
0
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[
0.04539256,
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] | agm004967739 | [
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[
... | [{"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": "Cu", "attached": ... | [
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
... | 8.047808 | 3.968316 | pbe | true | 4aa61404564a17f59b6429a2587e74d4_14_Sm4Mn2Cu2O12 |
[
"Cu",
"Mn",
"Pd",
"S"
] | 8 | A4B2CD | Cu2MnPdS4 | Mn1 Cu2 Pd1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
5.34274912,
0.21009728,
0
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[
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0
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[
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] | agm004872853 | [
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[
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... | [{"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": "Cu", "attached": ... | [
"Mn",
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] | 2023-11-16 06:57:59 | [
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[
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] | -41.485729 | [
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[
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[
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[
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0.0008398,
-0.002190... | 1.505458 | 5.641969 | pbe | true | 2d046eb5d141624ce635cebb2daf713e_42_Mn1Cu2Pd1S4 |
[
"Cu",
"Mo",
"N",
"Ta"
] | 5 | A2BCD | Cu2MoNTa | Ta1 Cu2 Mo1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.84036177,
0,
0
],
[
0,
4.84036177,
0
],
[
0,
0,
3.87467624
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] | agm001419980 | [
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Cu", "attached"... | [
"Mo",
"N",
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"Cu",
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] | 2023-11-16 06:57:59 | [
0.4,
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0.2
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[
0,
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[
0,
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] | -32.838938 | [
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.611916 | 4.741999 | pbe | true | 9374453724415d6f68aa990b4f158352_123_Ta1Cu2Mo1N1 |
[
"Cu",
"N",
"Na",
"Te"
] | 5 | A2BCD | CuN2NaTe | Na1 Cu1 Te1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
4.13059195,
0,
0
],
[
0,
4.13059195,
0
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[
0,
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] | agm001738707 | [
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[
0,
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[
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] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached"... | [
"Na",
"Te",
"Cu",
"N",
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] | 2023-11-16 06:57:59 | [
0.2,
0.4,
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0.2
] | [
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[
0,
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[
0,
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] | -13.779658 | [
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[
0,
0,
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[
0,
0,
0
]
] | -0.951085 | 5.775318 | pbe | true | 00c045b4f690fef3b9b42e8e3e931f06_123_Na1Cu1Te1N2 |
[
"Cu",
"N",
"Nd",
"Pa"
] | 18 | A5B2CD | CuN5NdPa2 | Nd2 Pa4 Cu2 N10 | 4 | [
1,
1,
1
] | 3 | [
[
3.54748815,
0,
0
],
[
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6.63162137,
0
],
[
0,
0,
10.95271453
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] | agm005158283 | [
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],
[
1.819905618835445e-9,
2.4137849736685344,
7.250349270173673
],... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Cu", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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] | -157.382832 | [
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[
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1,
1,
1
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... | 3.792512 | 9.989615 | pbe | true | 87bdd0c563e922e5d0d64ffe56e83e45_12_Cu2Se2N1O10 |
[
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1,
1,
1
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[
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[
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[
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[
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1,
1,
1
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0.002547... | 0.000011 | 7.74483 | pbe | true | d72ca92f9edc049e350350517aaa1ac6_74_Tb2Zn12Cu2Ni2 |
[
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1,
1,
1
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... | 15.858904 | 33.296112 | pbe | true | dab3af45deef6203103844f96b96ce60_36_Tb2Np4Cu2S10 |
[
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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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[
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[
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1,
1,
1
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[
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1,
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1
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[
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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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1,
1
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1.167649... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached"... | [
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[
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[
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1,
1,
1
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0.004318... | -0.000022 | 14.336094 | pbe | true | 6a40ba742b25250ca2f621537cc3ed5c_2_Pm2Dy4Ho1Er2 |
[
"Dy",
"Fe",
"Ni",
"Si"
] | 9 | A3B3C2D | Dy3Fe3NiSi2 | Dy3 Fe3 Si2 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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] | agm002315899 | [
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[
2.063069... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Dy", "attached"... | [
"Ni",
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] | 2023-11-16 06:57:59 | [
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[
0,... | 0.002024 | 13.077061 | pbe | true | 20d049da700bfa61e0f493cf48c3237d_189_Dy3Fe3Si2Ni1 |
[
"Dy",
"Ga",
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"Pt"
] | 9 | A3B3C2D | Dy3Ga3Ge2Pt | Dy3 Ga3 Ge2 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.21381927,
0,
0
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[
0,
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0
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[
0,
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] | agm002275101 | [
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[
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-0.832388915394002... | [{"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"... | [
"Ge",
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"Ga",
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] | 2023-11-16 06:57:59 | [
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[
0,... | 0 | 4.496417 | pbe | true | f1c45e239616f059936aeb521d18dce1_189_Dy3Ga3Ge2Pt1 |
[
"Dy",
"Ga",
"Li",
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] | 4 | ABCD | DyGaLiSm | Li1 Sm1 Dy1 Ga1 | 4 | [
1,
1,
1
] | 3 | [
[
5.14844216,
0,
0
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[
2.57422108,
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0
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[
2.57422108,
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"Li",
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[
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] | -0.000032 | 3.851113 | pbe | true | 180ec963919e5e8592a898c5743bf50a_216_Li1Sm1Dy1Ga1 |
[
"Dy",
"Ga",
"O",
"Sb"
] | 10 | A6B2CD | Dy2GaO6Sb | Dy2 Ga1 Sb1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.76204834,
0.00175531,
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] | agm002304546 | [
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[
-1.782057695358735... | [{"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": "Sb", "attached": ... | [
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"O",
"O",
"O",
"O",
"O",
"Ga",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
... | 0 | 0 | pbe | true | e82b94e6074f45a0611410bed831b2e6_148_Dy2Ga1Sb1O6 |
[
"Dy",
"H",
"Os",
"Si"
] | 8 | ABCD | DyHOsSi | Dy2 Si2 H2 Os2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.08010859,
0
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[
0,
0,
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... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Os", "attached": ... | [
"Dy",
"Dy",
"Si",
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"H",
"Os",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
0,
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[
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0,
0
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] | -0.000001 | 4.26595 | pbe | true | 20bcff9ffeb7e852d2291ce5ae7ae8d0_129_Dy2Si2H2Os2 |
[
"Dy",
"Hf",
"Te",
"Tl"
] | 12 | A6B3C2D | Dy2HfTe6Tl3 | Dy2 Hf1 Tl3 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
7.48697994,
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[
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[
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[
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4.133962540000... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached"... | [
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"Dy",
"Hf",
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"Tl",
"Tl",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
0.0003... | -0.000028 | 4.700334 | pbe | true | 4bd04e93614ae9d793117d7fd06e53bf_12_Dy2Hf1Tl3Te6 |
[
"Dy",
"Hg",
"Te",
"Tl"
] | 12 | A6B3C2D | Dy6Hg2Te3Tl | Dy6 Tl1 Hg2 Te3 | 4 | [
1,
1,
1
] | 3 | [
[
4.12515671,
0,
0
],
[
0,
9.2032341,
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[
-2.06257836,
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9.28657793
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] | agm004614343 | [
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3.1117577943843195
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[
0.0000020418940637035698,
2.304310463845412,
0.052408283149641896
... | [{"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": "Dy", "attached"... | [
"Dy",
"Dy",
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"Dy",
"Dy",
"Dy",
"Tl",
"Hg",
"Hg",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
0.5,
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0,
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[... | -0.000006 | 5.377749 | pbe | true | aa30165585f473566c7a2c4e1ad3da79_12_Dy6Tl1Hg2Te3 |
[
"Dy",
"Ho",
"K",
"Te"
] | 12 | A6B3C2D | DyHo2K3Te6 | K3 Dy1 Ho2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
7.76860313,
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0.00022908
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[
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[
-1.29548143,
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] | agm004615860 | [
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0,
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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": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"K",
"K",
"Dy",
"Ho",
"Ho",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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[
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[
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[
-... | 0 | -0.000105 | pbe | true | 79ceaa819c2d566ec7eb850ac59c91fd_12_K3Dy1Ho2Te6 |
[
"Dy",
"In",
"Ni",
"S"
] | 12 | A3BCD | DyInNiS3 | Dy2 In2 Ni2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
3.75078394,
0.0010252,
0
],
[
-1.87692794,
6.84120736,
0
],
[
0,
0,
10.20413366
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] | agm002353698 | [
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[
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[
1.... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": ... | [
"Ni",
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"S",
"S",
"S",
"S",
"S",
"In",
"In",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
0,
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] | -62.621801 | [
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0.00027353,
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0
],
... | 1.406561 | 8.89237 | pbe | true | 1e344d21b67bd882e6d9e6008019e087_63_Dy2In2Ni2S6 |
[
"Dy",
"K",
"Pa",
"Te"
] | 16 | A8B4C3D | Dy3K4PaTe8 | K4 Dy3 Pa1 Te8 | 4 | [
1,
1,
1
] | 3 | [
[
8.96215343,
0,
0
],
[
0,
9.75635254,
0.55366271
],
[
-4.48107672,
-4.47904258,
6.33976664
]
] | agm004734102 | [
[
4.481076715,
0,
0
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[
2.2405383550000004,
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3.16988332
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[
0,
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[
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[
4.481076715,
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],
[
2.2405383550000004,
2.63865498,
3.446714675
],
[
... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"K",
"K",
"K",
"Dy",
"Dy",
"Dy",
"Pa",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.1875,
0.25,
0.0625,
0.5
] | [
[
0.7907636,
0,
0
],
[
0,
0.76880985,
0.00137616
],
[
0,
0.0013762,
0.72108036
]
] | -73.020403 | [
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0.001,
0.001,
0.001,
0.074,
0.074,
0.074,
1.37,
-0.015,
-0.015,
-0.002,
-0.015,
-0.015,
-0.002,
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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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[
0,
-0.00252286,
... | 1.868872 | 10.605507 | pbe | true | bb50fd99f16d4f7c44792fb589cf9b48_166_K4Dy3Pa1Te8 |
[
"Dy",
"Li",
"Pd",
"Sn"
] | 4 | ABCD | DyLiPdSn | Li1 Dy1 Sn1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.76197353,
0,
0
],
[
2.38098677,
4.12399005,
0
],
[
2.38098677,
1.37466335,
3.88813511
]
] | agm001335545 | [
[
4.761973534999999,
2.7493267,
1.944067555
],
[
2.3809867674999996,
1.37466335,
0.9720337775
],
[
0,
0,
0
],
[
7.1429603025,
4.12399005,
2.9161013325
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Dy", "attached"... | [
"Li",
"Sn",
"Pd",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.9882777,
0,
0
],
[
0,
3.9882777,
0
],
[
0,
0,
3.9882777
]
] | -18.925944 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.107772 | pbe | true | 6463e1325b0485401d738111581292ee_216_Li1Dy1Sn1Pd1 |
[
"Dy",
"Lu",
"Nd",
"Pu"
] | 4 | ABCD | DyLuNdPu | Nd1 Dy1 Lu1 Pu1 | 4 | [
1,
1,
1
] | 3 | [
[
5.60459306,
0,
0
],
[
2.80229653,
4.85371997,
0
],
[
2.80229653,
1.61790666,
4.57613107
]
] | agm001923627 | [
[
0,
0,
0
],
[
2.80229653,
1.6179066575,
1.1440327675
],
[
5.60459306,
3.235813315,
2.288065535
],
[
8.40688959,
4.8537199725,
3.4320983025
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pu", "attached"... | [
"Lu",
"Nd",
"Dy",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.0759692,
0,
0
],
[
0,
2.0759692,
0
],
[
0,
0,
2.0759692
]
] | -27.41898 | [
-0.114,
0.012,
-0.16,
-5.513
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -6.234623 | 11.336181 | pbe | true | 8272062aed44503e45c536351d601e42_216_Nd1Dy1Lu1Pu1 |
[
"Dy",
"Mg",
"Sc",
"Tb"
] | 4 | ABCD | DyMgScTb | Tb1 Dy1 Mg1 Sc1 | 4 | [
1,
1,
1
] | 3 | [
[
3.47964403,
0.000285,
-0.29468278
],
[
-0.00015455,
3.49166334,
0.00191153
],
[
-2.69266632,
-0.00524644,
9.32735523
]
] | agm005179762 | [
[
0.08018071562881487,
1.4983909223185594,
5.250476922172082
],
[
-1.4429476658905158,
3.2424015690519257,
7.907213837664107
],
[
3.1886109415517563,
1.4975498731618888,
0.6865045210615325
],
[
1.6201872964937054,
3.244884217660776,
2.8007797139643076
]
... | [{"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": "Mg", "attached"... | [
"Tb",
"Dy",
"Mg",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.0643253,
-0.00795683,
-0.09374794
],
[
-0.00795676,
1.2897916,
-0.03140557
],
[
-0.09374797,
-0.03140555,
1.2185031
]
] | -17.188377 | [
0,
0,
0,
0
] | [
[
-0.00051076,
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-0.00330726
],
[
-0.00030197,
-0.00364873,
-0.0008214
],
[
0.00088113,
0.00897497,
0.00429384
],
[
-0.0000684,
-0.00364041,
-0.00016518
]
] | 0.000109 | 4.806255 | pbe | true | ffc22cac40d36b5f41f423bf00f28c62_99_Tb1Dy1Mg1Sc1 |
[
"Dy",
"N",
"Nb",
"Pa"
] | 8 | A4B2CD | Dy2N4NbPa | Dy2 Pa1 Nb1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.39128074,
0,
0
],
[
0,
5.81377245,
0.10408586
],
[
0,
-2.02966172,
5.54952906
]
] | agm004842338 | [
[
1.69564037,
-1.01483086,
2.77476453
],
[
0,
1.892055365,
2.82680746
],
[
1.69564037,
2.906886225,
0.05204293
],
[
0,
0,
0
],
[
1.69564037,
0.9328073580052567,
1.3141418577242372
],
[
1.69564037,
2.851303371994743,
4.339473... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pa", "attached"... | [
"Dy",
"Dy",
"Pa",
"Nb",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.34050965,
0,
0
],
[
0,
0.15903465,
0.0305512
],
[
0,
0.03055136,
0.1677952
]
] | -74.102191 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.0017921,
0.00141159
],
[
0,
-0.0017921,
-0.00141159
],
[
0,
0.00250832,
0.00107769
],
[
0,
-0.00250832,
-0.00107769
]
] | 0.000026 | 3.61869 | pbe | true | da34f086f4e1303888c478fab67a2170_10_Dy2Pa1Nb1N4 |
[
"Dy",
"N",
"Pm",
"Te"
] | 11 | A4B3C2D2 | Dy4N2Pm2Te3 | Pm2 Dy4 Te3 N2 | 4 | [
1,
1,
1
] | 3 | [
[
4.59783964,
0,
0
],
[
0,
4.59783964,
0
],
[
-2.29891983,
-2.29891982,
12.93604316
]
] | agm004490623 | [
[
0.000002269854552998477,
-0.00000232190901804668,
7.860028953353373
],
[
2.298917540145447,
2.2989221419090184,
5.076014206646628
],
[
-0.0000023072071218044712,
2.2989221189198203,
10.720489635195433
],
[
2.298917512792878,
0.000002298919820053393,
10.7... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
"Dy",
"Dy",
"Dy",
"Dy",
"Te",
"Te",
"Te",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.18181818181818182,
0.18181818181818182,
0.2727272727272727
] | [
[
0.09283947,
0,
0
],
[
0,
0.09283947,
0
],
[
0,
0,
0.25037238
]
] | -67.071126 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.0011619
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[
0,
0,
0.00082166
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[
0,
0,
0.00082166
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[
0,
0,
-0.00082166
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[
0,
0,
-0.00082166
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[
0,
0,
0
],
[
0,
0,
0.00072799
],
[
0,
0,
... | -0.000017 | 6.468621 | pbe | true | f7d3f034746bf7d044b02fb769306008_139_Pm2Dy4Te3N2 |
[
"Dy",
"N",
"Ta",
"Tb"
] | 8 | A4B2CD | DyN4TaTb2 | Tb2 Dy1 Ta1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.35578153,
0,
0
],
[
0,
5.83486285,
0.12114262
],
[
0,
-2.02173486,
5.48451086
]
] | agm004842096 | [
[
1.677890765,
-1.01086743,
2.74225543
],
[
0,
1.9065639950000002,
2.80282674
],
[
1.677890765,
2.917431425,
0.06057131
],
[
0,
0,
0
],
[
1.677890765,
0.8653988748003107,
1.2613239798236986
],
[
1.677890765,
2.947729115199689,
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached"... | [
"Tb",
"Tb",
"Dy",
"Ta",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
0.02048649,
0,
0
],
[
0,
0.898621,
-0.33420685
],
[
0,
-0.33420682,
0.7713782
]
] | -71.19469 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
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[
0,
0.00026664,
0.00050498
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[
0,
-0.0026795,
0.00272212
],
[
0,
0.0026795,
-0.00272212
]
] | -0.000005 | 1.897211 | pbe | true | 94de3e5c9a85487e029928ea44783b51_10_Tb2Dy1Ta1N4 |
[
"Dy",
"Na",
"S",
"U"
] | 16 | A8B4C3D | Dy3Na4S8U | Na4 Dy3 U1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.97708831,
0,
0
],
[
0,
8.12556172,
0.09461639
],
[
-3.98854416,
-3.98495171,
5.64351593
]
] | agm004728332 | [
[
3.988544155,
0,
0
],
[
1.994272075,
-1.992475855,
2.821757965
],
[
0,
0,
0
],
[
-1.99427208,
-1.992475855,
2.821757965
],
[
3.988544155,
4.06278086,
0.047308195
],
[
1.994272075,
2.0703050050000003,
2.86906616
],
[
... | [{"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": "Na", "attached": ... | [
"Na",
"Na",
"Na",
"Na",
"Dy",
"Dy",
"Dy",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.1875,
0.25,
0.5,
0.0625
] | [
[
0.40455306,
0,
0
],
[
0,
0.40425077,
-0.00046769
],
[
0,
-0.00046769,
0.40408996
]
] | -90.687565 | [
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0,
0,
0,
0.078,
0.078,
0.078,
2.514,
-0.023,
-0.023,
0.002,
-0.023,
-0.023,
0.002,
-0.023,
-0.023
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00164736,
-0.00255078,
-0.00063505
],
[
0,
-0.00090491,... | 3.003705 | 7.93464 | pbe | true | 926bb50ee73e8aca08f92a8f8fc484ad_166_Na4Dy3U1S8 |
[
"Dy",
"Pm",
"Sn",
"Tl"
] | 4 | ABCD | DyPmSnTl | Pm1 Dy1 Tl1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.61617762,
0,
0
],
[
0,
4.3763405,
0
],
[
-2.30808881,
0,
5.80019677
]
] | agm005206887 | [
[
2.30808881,
2.18817025,
4.237757628703451
],
[
5.1806654566698287e-17,
0,
1.5719283792162038
],
[
-3.0065949001883044e-17,
0,
4.746045344217379
],
[
2.3080888100000005,
2.18817025,
1.0446737882565063
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sn", "attached"... | [
"Pm",
"Dy",
"Tl",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.2406209,
0,
0
],
[
0,
2.3580647,
0
],
[
0,
0,
2.187766
]
] | -17.931902 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.0018506
],
[
0,
0,
0.00167412
],
[
0,
0,
-0.00284822
],
[
0,
0,
0.0030247
]
] | 0.000178 | 3.646626 | pbe | true | 7552eb88f4160595bc716cabb7ccc301_38_Pm1Dy1Tl1Sn1 |
[
"Dy",
"Pr",
"Tb",
"Y"
] | 18 | A5B2CD | DyPr2Tb5Y | Tb10 Pr4 Dy2 Y2 | 4 | [
1,
1,
1
] | 3 | [
[
8.63739544,
0,
0
],
[
0,
8.63739544,
0
],
[
-4.31869772,
-4.31869772,
8.00274811
]
] | agm005154184 | [
[
6.782533728342991,
2.4638360083429904,
2.265969244296098
],
[
2.463835921969037,
-1.8548617980309638,
5.7367788657039025
],
[
-2.463836008342991,
1.8548617116570087,
5.7367788657039025
],
[
-1.8548617980309638,
-2.463836008342991,
5.7367788657039025
],... | [{"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": "Pr", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Pr",
"Pr",
"Pr",
"Pr",
"Dy",
"Dy",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.5555555555555556,
0.1111111111111111
] | [
[
0.51441026,
0,
0
],
[
0,
0.51441026,
0
],
[
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] | -82.730384 | [
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0,
0,
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[
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[
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0.000... | -0.00001 | 24.98214 | pbe | true | 78bd8adb715b2fbcd9509f326a0e8a80_140_Tb10Pr4Dy2Y2 |
[
"Dy",
"Pr",
"Tb",
"Y"
] | 20 | A6B2CD | DyPr6Tb2Y | Tb4 Pr12 Dy2 Y2 | 4 | [
1,
1,
1
] | 3 | [
[
9.29409543,
-2.08127068,
-2.15988911
],
[
0.81550612,
8.75789107,
-2.08095416
],
[
0.81550612,
-2.40410328,
8.6747515
]
] | agm004978639 | [
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5.45347634028259,
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3.4403956729850083
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[
0.8245836147174105,
2.0376668229126937,
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0.9935125570149914
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[
10.10052405528259,
2.234850287087306,
3.4304305455117703
],
... | [{"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": "Pr", "attached"... | [
"Tb",
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"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Dy",
"Dy",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
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[
0.00160931,
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],
[
0.0016701,
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] | -95.754474 | [
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] | [
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[
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[
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[
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-0.002... | -0.000016 | 29.133844 | pbe | true | 9e208c74cb72fd3d88cd737a35f97304_15_Tb4Pr12Dy2Y2 |
[
"Er",
"Ga",
"H",
"S"
] | 8 | A4B2CD | Er4GaHS2 | Er4 Ga1 H1 S2 | 4 | [
1,
1,
1
] | 3 | [
[
5.49779253,
0.31992111,
0
],
[
-0.27911574,
5.50001514,
0
],
[
-2.60933839,
-2.90996812,
5.51174201
]
] | agm004850885 | [
[
2.602110479091164,
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[
-0.5121356754070185,
2.561639739399389,
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[
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2.7930706888216315
],
[
2.3133937339579576,
2.5799267885493857,
2.718671321178368
],
[
4.8541... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Er", "attached": nu... | [
"Er",
"Er",
"Er",
"Er",
"Ga",
"H",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.125,
0.25
] | [
[
1.1695181,
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0
],
[
0.03688711,
1.1775788,
0
],
[
0,
0,
1.1823306
]
] | -42.0834 | [
0,
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0,
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0,
0
] | [
[
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0
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[
0.00069495,
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[
0.00069495,
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[
0.00145786,
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0
],
[
-0.00494126,
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0
],
[
0.00002... | 0.000011 | 3.780803 | pbe | true | 0b736d32ae59efb9ee90a5c38f8305aa_42_Er4Ga1H1S2 |
[
"Er",
"Ga",
"Hg",
"Zn"
] | 4 | ABCD | ErGaHgZn | Er1 Zn1 Ga1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89033269,
0,
0
],
[
2.44516634,
4.23515234,
0
],
[
2.44516634,
1.41171745,
3.99293992
]
] | agm001360283 | [
[
4.890332685000001,
2.823434895,
1.99646996
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[
7.3354990275,
4.2351523425,
2.99470494
],
[
2.4451663425000003,
1.4117174475,
0.99823498
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[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Hg",
"Ga",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.1910558,
0,
0
],
[
0,
3.1910558,
0
],
[
0,
0,
3.1910558
]
] | -10.33237 | [
0,
0,
0,
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
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[
0,
0,
0
]
] | -0.000001 | -0.067232 | pbe | true | fffb2346ddb2eca7773c641e1cf2d538_216_Er1Zn1Ga1Hg1 |
[
"Er",
"Ga",
"Li",
"Rh"
] | 4 | ABCD | ErGaLiRh | Li1 Er1 Ga1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.58549165,
0,
0
],
[
2.29274583,
3.97115226,
0
],
[
2.29274583,
1.32371742,
3.74403825
]
] | agm001361209 | [
[
4.585491654999999,
2.64743484,
1.872019125
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[
0,
0,
0
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[
2.2927458274999997,
1.32371742,
0.9360095625
],
[
6.8782374824999994,
3.97115226,
2.8080286875000002
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached"... | [
"Li",
"Rh",
"Ga",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.4267845,
0,
0
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[
0,
4.4267845,
0
],
[
0,
0,
4.4267845
]
] | -19.224757 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000022 | 3.68986 | pbe | true | deff824166fa0220d8c3517a29798d55_216_Li1Er1Ga1Rh1 |
[
"Er",
"Ga",
"N",
"Pb"
] | 14 | A4BCD | Er4GaNPb | Er8 Ga2 Pb2 N2 | 4 | [
1,
1,
1
] | 3 | [
[
6.54097071,
0,
0
],
[
0,
6.54778105,
0
],
[
-3.27048535,
0,
7.84979192
]
] | agm005058041 | [
[
3.2704853590749976,
1.6369452625,
6.397577431879071
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[
4.192268885442953e-9,
4.9108357875,
6.581687864533296
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[
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4.9108357875,
1.4522144881209296
],
[
3.2704853558077316,
1.6369452625,
1.268104055466704
],
[
1.63524268,
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "N", "attached":... | [
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Ga",
"Ga",
"Pb",
"Pb",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.14285714285714285,
0.14285714285714285,
0.14285714285714285
] | [
[
0.02984309,
0,
0
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[
0,
0.00729542,
0
],
[
0,
0,
0.04951367
]
] | -78.396316 | [
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0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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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[
0,
0,
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[
0,
0,
0.00348529
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[
0,... | -0.000127 | 2.532932 | pbe | true | 4b2969703275b560bfbd00540284b05e_63_Er8Ga2Pb2N2 |
[
"Er",
"Ho",
"Nd",
"Tl"
] | 8 | A4B2CD | ErHoNd2Tl4 | Nd2 Ho1 Er1 Tl4 | 4 | [
1,
1,
1
] | 3 | [
[
5.43003745,
0,
0
],
[
2.71501873,
4.70255038,
0
],
[
2.71501872,
1.56751679,
8.88798467
]
] | agm004807711 | [
[
8.145056202151704,
4.702550393175925,
6.66396959678221
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[
2.715018697848299,
1.5675167768240748,
2.2240150732177906
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[
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0
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[
5.43003745,
3.135033585,
4.443992335
],
[
5.430037447502602,
3.1350335837513,
7.773519205670539
],
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Nd",
"Ho",
"Er",
"Tl",
"Tl",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.25,
0.5
] | [
[
2.5220473,
0,
0
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[
0,
2.5220473,
0
],
[
0,
0,
2.5043266
]
] | -30.948226 | [
0,
0,
0,
0,
0,
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0
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[
0,
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[
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,
0.000535
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[
0,
0,
-0.00292215
]
] | -0.000019 | 6.244555 | pbe | true | b5523f1afb6162e58c2e2463165d6fa1_166_Nd2Ho1Er1Tl4 |
[
"Er",
"In",
"Nd",
"O"
] | 5 | A2BCD | ErInNd2O | Nd2 Er1 In1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.68743205,
0,
0
],
[
0,
5.0252202,
0
],
[
0,
0,
5.0252202
]
] | agm005011356 | [
[
0,
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[
0,
2.5126101,
0
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[
2.343716025,
0,
0
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[
2.343716025,
2.5126101,
2.5126101
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[
0,
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]
] | [{"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": "Nd", "attached": ... | [
"Nd",
"Nd",
"Er",
"In",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
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[
0,
0.21123801,
0
],
[
0,
0,
0.21123801
]
] | -28.804994 | [
0,
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.237023 | pbe | true | 25fbfa4027d9abef54256051cabc50fb_123_Nd2Er1In1O1 |
[
"Er",
"Mg",
"Ru",
"Tm"
] | 4 | ABCD | ErMgRuTm | Er1 Tm1 Mg1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
3.40639405,
0,
0
],
[
0,
3.40639405,
0
],
[
0,
0,
8.02500302
]
] | agm005193395 | [
[
1.703197025,
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[
1.703197025,
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],
[
0,
0,
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],
[
0,
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4.570910832392744
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached"... | [
"Er",
"Tm",
"Mg",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.6305075,
0,
0
],
[
0,
1.6305075,
0
],
[
0,
0,
1.1023757
]
] | -21.259162 | [
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] | [
[
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[
0,
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],
[
0,
0,
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],
[
0,
0,
0.0020913
]
] | -0.000001 | 2.762069 | pbe | true | 976b9409a465e208e2e76c8d8f166489_99_Er1Tm1Mg1Ru1 |
[
"Er",
"Na",
"Nd",
"S"
] | 16 | A8B4C3D | Er3Na4NdS8 | Na4 Nd1 Er3 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.99334526,
0,
0
],
[
0,
8.12395968,
0.0831693
],
[
-3.99667263,
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5.6538924
]
] | agm004728213 | [
[
3.99667263,
0,
0
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[
1.998336315,
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[
0,
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[
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[
0,
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],
[
3.99667263,
4.06197984,
0.04158465
],
[
1.998336315,
2.0654... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nd", "attached": ... | [
"Na",
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"Nd",
"Er",
"Er",
"Er",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.1875,
0.25,
0.0625,
0.5
] | [
[
0.18562984,
0,
0
],
[
0,
0.50406826,
0.22451271
],
[
0,
0.22451271,
0.34387207
]
] | -86.091675 | [
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0,
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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,
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[
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[
0,
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[
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[
0,
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[
0.0016956,
0.00110192,
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[
0,
-0.0005922,
... | -0.000001 | 0 | pbe | true | 2a39be7fdda05c0a405c653dfb5336b5_166_Na4Nd1Er3S8 |
[
"Er",
"Nd",
"Tl",
"Tm"
] | 8 | A4B2CD | ErNd2Tl4Tm | Nd2 Er1 Tm1 Tl4 | 4 | [
1,
1,
1
] | 3 | [
[
5.42072029,
0,
0
],
[
2.71036014,
4.69448147,
0
],
[
2.71036014,
1.56482716,
8.87653898
]
] | agm004807678 | [
[
8.131080454604927,
4.6944814881469465,
6.653875366928501
],
[
2.7103601153950736,
1.5648271418530537,
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[
0,
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[
5.420720285000001,
3.1296543150000002,
4.43826949
],
[
5.420720310854627,
3.129654331897247,
7.76424... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached"... | [
"Nd",
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"Tm",
"Tl",
"Tl",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
2.4547787,
0,
0
],
[
0,
2.4547787,
0
],
[
0,
0,
2.49909
]
] | -30.772849 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00300151
],
[
0,
0,
0.00300151
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00356682
],
[
0,
0,
-0.00048635
],
[
0,
0,
0.00048635
],
[
0,
0,
-0.00356682
]
] | -0.000006 | 6.18025 | pbe | true | fe0848da678aa308a68c73d17c5f1837_166_Nd2Er1Tm1Tl4 |
[
"Er",
"Ni",
"Pd",
"Pu"
] | 4 | ABCD | ErNiPdPu | Er1 Pu1 Ni1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.87210211,
0,
0
],
[
2.43605106,
4.2193642,
0
],
[
2.43605106,
1.40645473,
3.97805472
]
] | agm001917453 | [
[
2.4360510575000003,
1.4064547325,
0.99451368
],
[
0,
0,
0
],
[
7.308153172500001,
4.2193641975,
2.98354104
],
[
4.872102115000001,
2.812909465,
1.98902736
]
] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ni",
"Er",
"Pd",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-1.6133347,
0,
0
],
[
0,
-1.6133347,
0
],
[
0,
0,
-1.6133347
]
] | -31.377571 | [
-0.083,
0.148,
-0.003,
5.206
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.537555 | 14.553351 | pbe | true | f8c0f2232056211bf2617841f00f9796_216_Er1Pu1Ni1Pd1 |
[
"Er",
"Pm",
"Sm",
"Y"
] | 20 | A6B2CD | ErPm6SmY2 | Pm12 Sm2 Y4 Er2 | 4 | [
1,
1,
1
] | 3 | [
[
9.15045601,
-1.93565746,
-2.00877547
],
[
0.8749735,
8.67986321,
-1.98852202
],
[
0.8749735,
-2.30884283,
8.6002029
]
] | agm004970156 | [
[
1.2864636240543457,
-0.8516763908701901,
6.2021569748499275
],
[
5.038711380945654,
-0.8262686363977827,
6.228524485714966
],
[
9.613939385945653,
5.28703931087019,
-1.599251564849928
],
[
5.861691629054346,
5.261631556397783,
-1.6256190757149664
],
... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached"... | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Sm",
"Sm",
"Y",
"Y",
"Y",
"Y",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
1.1526974,
-0.03550543,
-0.03684662
],
[
-0.03550525,
1.0519849,
-0.01221801
],
[
-0.03684643,
-0.01221801,
1.0510787
]
] | -99.057659 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00162061,
-0.00192709,
-0.00036577
],
[
-0.00162061,
0.0002941,
0.00193932
],
[
-0.00162061,
0.00192709,
0.00036577
],
[
0.00162061,
-0.0002941,
-0.00193932
],
[
0.00043084,
-0.00373164,
-0.00256393
],
[
-0.00043084,
0.00242... | 0.000096 | 29.286964 | pbe | true | c2c70c08e53e6901ec4e37dcaafbe5e9_15_Pm12Sm2Y4Er2 |
[
"Er",
"Pt",
"Tl",
"Tm"
] | 4 | ABCD | ErPtTlTm | Er1 Tm1 Tl1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
5.09670591,
0,
0
],
[
2.54835296,
4.4138768,
0
],
[
2.54835296,
1.47129227,
4.16144295
]
] | agm001302571 | [
[
2.5483529574999997,
1.4712922675,
1.0403607375
],
[
5.096705914999999,
2.942584535,
2.080721475
],
[
7.6450588725,
4.4138768025,
3.1210822124999997
],
[
0,
0,
0
]
] | [{"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": "Tm", "attached"... | [
"Tl",
"Tm",
"Pt",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.9691093,
0,
0
],
[
0,
2.9691093,
0
],
[
0,
0,
2.9691093
]
] | -20.301923 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 | 3.46509 | pbe | true | 4e1ba3eff01702271841693ec7bf144c_216_Er1Tm1Tl1Pt1 |
[
"Er",
"Te",
"Th",
"Y"
] | 12 | A6B3C2D | Er2Te6ThY3 | Y3 Er2 Th1 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.25896093,
0,
0
],
[
0,
8.94217147,
0.65780365
],
[
-2.12948046,
-2.21219666,
9.15782189
]
] | agm004601597 | [
[
2.129480465,
4.471085735,
0.328901825
],
[
2.1294804471887123,
-0.19907831524142033,
6.4790177733999785
],
[
2.281128777635817e-8,
6.9290531252414205,
3.336607766600021
],
[
2.1294804470465647,
4.377139647185462,
6.550674600969911
],
[
2.29534353... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Te", "attached"... | [
"Y",
"Y",
"Y",
"Er",
"Er",
"Th",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.08333333333333333,
0.25
] | [
[
0.46309292,
0,
0
],
[
0,
0.3789742,
-0.00718343
],
[
0,
-0.00718364,
0.39270103
]
] | -69.420711 | [
0,
0,
0,
0,
0,
0.001,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
-0.00378681,
0.00299069
],
[
0,
0.00378681,
-0.00299069
],
[
0,
-0.00253868,
-0.00063843
],
[
0,
0.00253868,
0.00063843
],
[
0,
0,
0
],
[
0,
0.00013194,
0.00209337
],
[
0,
0.0015... | 0.0035 | 8.275242 | pbe | true | 8c6a3f152880669977f2cc5fd6a3681e_12_Y3Er2Th1Te6 |
[
"Eu",
"Hg",
"In",
"Na"
] | 4 | ABCD | EuHgInNa | Na1 Eu1 In1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.40851644,
0,
0
],
[
2.70425822,
4.68391263,
0
],
[
2.70425822,
1.56130421,
4.41603518
]
] | agm001387404 | [
[
5.40851644,
3.12260842,
2.20801759
],
[
0,
0,
0
],
[
2.70425822,
1.56130421,
1.104008795
],
[
8.11277466,
4.68391263,
3.312026385
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached"... | [
"Eu",
"Na",
"Hg",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.858238,
0,
0
],
[
0,
3.858238,
0
],
[
0,
0,
3.858238
]
] | -15.870694 | [
6.87,
0.001,
0.017,
0.049
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.299791 | 9.271736 | pbe | true | e33da6fbef31a2763f4aecac494e5508_216_Na1Eu1In1Hg1 |
[
"Eu",
"In",
"K",
"Pb"
] | 4 | ABCD | EuInKPb | K1 Eu1 In1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.7443252,
0,
0
],
[
2.8721626,
4.97473155,
0
],
[
2.8721626,
1.65824385,
4.69022189
]
] | agm001404052 | [
[
5.7443252,
3.3164876999999997,
2.345110945
],
[
2.8721626,
1.6582438499999999,
1.1725554725
],
[
8.6164878,
4.97473155,
3.5176664175
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached":... | [
"Pb",
"Eu",
"K",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.9670813,
0,
0
],
[
0,
3.9670813,
0
],
[
0,
0,
3.9670813
]
] | -18.749248 | [
-0.045,
6.874,
0.001,
0.04
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.099036 | 10.071024 | pbe | true | 91314ed877b4655f975171f9e1b353de_216_K1Eu1In1Pb1 |
[
"Eu",
"Ir",
"Ni",
"Pr"
] | 4 | ABCD | EuIrNiPr | Pr1 Eu1 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.98698564,
0,
0
],
[
2.49349282,
4.31885625,
0
],
[
2.49349282,
1.43961875,
4.07185672
]
] | agm001357394 | [
[
0,
0,
0
],
[
4.98698564,
2.8792375,
2.03592836
],
[
7.4804784600000005,
4.31885625,
3.0538925400000005
],
[
2.49349282,
1.43961875,
1.01796418
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Eu",
"Pr",
"Ir",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-1.9635522,
0,
0
],
[
0,
-1.9635522,
0
],
[
0,
0,
-1.9635522
]
] | -30.832834 | [
6.701,
0.035,
-0.124,
-0.147
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.706394 | 12.76932 | pbe | true | c85805cba7aeba9e542c1efea0d2177f_216_Pr1Eu1Ni1Ir1 |
[
"Eu",
"Ir",
"Ni",
"Tm"
] | 4 | ABCD | EuIrNiTm | Eu1 Tm1 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.84074298,
0,
0
],
[
2.42037149,
4.19220639,
0
],
[
2.42037149,
1.39740213,
3.95245009
]
] | agm001357417 | [
[
0,
0,
0
],
[
2.42037149,
1.39740213,
0.9881125225
],
[
7.26111447,
4.19220639,
2.9643375675000003
],
[
4.84074298,
2.79480426,
1.976225045
]
] | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Eu",
"Ni",
"Ir",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.0894608,
0,
0
],
[
0,
-2.0894608,
0
],
[
0,
0,
-2.0894608
]
] | -31.019331 | [
6.674,
-0.104,
-0.088,
0.058
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.744374 | 11.772502 | pbe | true | 18796a4ab5ac443939cf9dc6e7c0ec5d_216_Eu1Tm1Ni1Ir1 |
[
"Eu",
"Li",
"O",
"Sn"
] | 8 | A4B2CD | EuLi2O4Sn | Li2 Eu1 Sn1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
5.22684039,
0,
0
],
[
-2.40603488,
4.64011288,
0
],
[
-2.40603488,
-1.71512601,
4.31149514
]
] | agm002219516 | [
[
-2.40603488,
1.462493435,
2.15574757
],
[
0,
0,
0
],
[
-1.5741112850031254,
2.757068287771242,
4.063979447324435
],
[
0.45600210866424223,
1.0996513877649454,
1.620910391998723
],
[
-1.639666213945072,
-0.8038849370696249,
2.6906192399623... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": ... | [
"Eu",
"Sn",
"O",
"O",
"O",
"O",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
0.7391081,
0.03269061,
0.04818668
],
[
0.03269074,
0.8090493,
0.00258122
],
[
0.04818686,
0.00258122,
0.811103
]
] | -54.45522 | [
6.719,
0.011,
-0.011,
-0.011,
-0.011,
-0.011,
0.002,
0.002
] | [
[
-0.00005675,
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],
[
-0.0007639,
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-0.00115616
],
[
0.00216169,
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-0.00100807
],
[
0.00154811,
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-0.000224
],
[
-0.00120533,
0.00077125,
0.00141289
],
[
-0.00120533,
0.001... | 6.832927 | 16.852228 | pbe | true | a44a3cfda68571f4c77249822c397829_121_Li2Eu1Sn1O4 |
[
"Eu",
"Mg",
"O",
"Pt"
] | 20 | A6B2CD | Eu2MgO6Pt | Eu4 Mg2 Pt2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.69810045,
0,
0
],
[
0,
5.52711883,
-0.00446181
],
[
0,
5.51785262,
7.84813698
]
] | agm003224161 | [
[
2.5363522047260845,
5.4529675918882035,
5.876138499053421
],
[
3.1617482452739156,
5.592003858111797,
1.9675366709465778
],
[
5.385402429726084,
8.350930168111796,
5.891605160946578
],
[
0.31269802027391547,
2.694041281888203,
1.9520700090534218
],
[... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": ... | [
"Eu",
"Eu",
"Eu",
"Eu",
"Mg",
"Mg",
"Pt",
"Pt",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.6,
0.1
] | [
[
0.51654345,
0,
0
],
[
0,
0.39297527,
-0.04490894
],
[
0,
-0.04490905,
0.27756193
]
] | -158.183393 | [
6.377,
6.377,
6.377,
6.377,
0,
0,
-0.248,
-0.248,
-0.093,
-0.093,
-0.093,
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-0.109,
-0.109,
-0.109,
-0.109,
-0.101,
-0.101,
-0.101,
-0.101
] | [
[
0.00028943,
0.00078606,
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],
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[
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1
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[
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[
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[
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-0.15,
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0.011,
0.032,
0.035
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[
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[
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[
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[
0.00289542,
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],
[
-0.00138384,
-0.0000070... | 28.999992 | 2.603332 | pbe | true | 3f0c3cc00afbc04c1eb43acada47203b_1_Mg1Mn8O13F3 |
[
"F",
"Mg",
"Rb",
"Tl"
] | 9 | A5B2CD | F5MgRbTl2 | Rb1 Mg1 Tl2 F5 | 4 | [
1,
1,
1
] | 3 | [
[
4.00628128,
0,
0
],
[
0,
6.38132213,
0
],
[
-2.00314064,
-3.19066106,
6.66061429
]
] | agm005178128 | [
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0,
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0
],
[
2.00314064,
0,
0
],
[
3.0310094816854873e-17,
2.0920414670888436e-9,
2.786856302034607
],
[
2.00314064,
3.190661067907958,
3.8737579879653934
],
[
2.0031426431406394,
4.966898954134124,
1.4606296862286867
],
[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Mg",
"Tl",
"Tl",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
0.1111111111111111,
0.1111111111111111,
0.2222222222222222
] | [
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0,
0
],
[
0,
1.401049,
0
],
[
0,
0,
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]
] | -39.802999 | [
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0,
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0,
0,
0,
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[
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[
0,
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[
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[
0,
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[
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[
0,
0.00071306,
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],
[
0,
-0.00071306,
0.00093... | 0 | 0 | pbe | true | 861769ef7ccfa730ef9148c80ba4647c_71_Rb1Mg1Tl2F5 |
[
"F",
"N",
"Nb",
"Zn"
] | 5 | A2BCD | F2NNbZn | Nb1 Zn1 N1 F2 | 4 | [
1,
1,
1
] | 3 | [
[
4.23746479,
0,
0
],
[
0,
4.23746479,
0
],
[
0,
0,
4.0409892
]
] | agm001698088 | [
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0,
0,
0
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[
0,
0,
2.0204946
],
[
2.118732395,
2.118732395,
2.0204946
],
[
0,
2.118732395,
0
],
[
2.118732395,
0,
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": ... | [
"Nb",
"N",
"Zn",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.7532464,
0,
0
],
[
0,
1.7532464,
0
],
[
0,
0,
1.738431
]
] | -28.97821 | [
0.572,
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0.016,
0.006,
0.006
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[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.600875 | 3.345955 | pbe | true | eb895ff866b20081638e677bbf809c91_123_Nb1Zn1N1F2 |
[
"F",
"N",
"O",
"Rh"
] | 5 | A2BCD | FN2ORh | Rh1 N2 O1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
3.40485574,
0,
0
],
[
0,
3.40485574,
0
],
[
0,
0,
4.27781504
]
] | agm001719720 | [
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0,
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0
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[
1.70242787,
0,
0
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[
1.70242787,
1.70242787,
2.13890752
],
[
0,
0,
0
],
[
0,
0,
2.13890752
]
] | [{"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": "Rh", "attached": nu... | [
"N",
"N",
"Rh",
"O",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.4257529,
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0
],
[
0,
2.4257529,
0
],
[
0,
0,
2.5091946
]
] | -20.777288 | [
-0.016,
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0.669,
-0.028,
0.065
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.680914 | 6.423182 | pbe | true | df719754e78e4972aa6a6c5f175e661b_123_Rh1N2O1F1 |
[
"F",
"O",
"Te",
"Tl"
] | 5 | A2BCD | F2OTeTl | Tl1 Te1 O1 F2 | 4 | [
1,
1,
1
] | 3 | [
[
4.54689442,
0,
0
],
[
0,
4.54689442,
0
],
[
0,
0,
4.39267215
]
] | agm001701632 | [
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0,
0,
0
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[
2.27344721,
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2.196336075
],
[
0,
0,
2.196336075
],
[
0,
2.27344721,
0
],
[
2.27344721,
0,
0
]
] | [{"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": "Te", "attached": ... | [
"Tl",
"Te",
"O",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.0380387,
0,
0
],
[
0,
3.0380387,
0
],
[
0,
0,
0.8792847
]
] | -17.378944 | [
-0.038,
0.981,
0.07,
0.081,
0.081
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.905752 | 3.926685 | pbe | true | dc9c92b7e1cb73648fbe9e9313d12672_123_Tl1Te1O1F2 |