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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"I",
"K",
"N",
"Si"
] | 5 | A2BCD | IKN2Si | K1 Si1 I1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.99707104,
0,
0
],
[
0,
3.99707104,
0
],
[
0,
0,
5.77441747
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] | agm001724332 | [
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[
0,
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[
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Si", "attached": nu... | [
"I",
"K",
"Si",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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[
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[
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] | -20.824468 | [
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[
0,
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[
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0
]
] | 1.363408 | 2.343974 | pbe | true | e8298560f5fb58da57aa221e7a86274d_123_K1Si1I1N2 |
[
"I",
"K",
"Mn",
"Rb"
] | 20 | A6B2CD | I6KMnRb2 | K2 Rb4 Mn2 I12 | 4 | [
1,
1,
1
] | 3 | [
[
8.25571444,
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[
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0.05543311,
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] | agm004961920 | [
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[
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... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "K", "attached": n... | [
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"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
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... | 7.991869 | 3.614538 | pbe | true | e17bd2c5ea67163621dbcbfe8364b3b5_14_K2Rb4Mn2I12 |
[
"I",
"K",
"Na",
"S"
] | 7 | A2B2C2D | I2K2Na2S | K2 Na2 S1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
5.28632737,
0,
0
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[
0,
5.28632737,
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[
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] | agm004542449 | [
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2.4794314631035216e-8,
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[
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0.0000026... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Na",
"Na",
"S",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
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[
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] | -20.773336 | [
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[
0,
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[
0,
0,
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]
] | 0.097451 | 0 | pbe | true | 2e0641a441ded9aba472e6130633cf40_139_K2Na2S1I2 |
[
"I",
"La",
"N",
"Se"
] | 5 | A2BCD | ILa2NSe | La2 Se1 I1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.87325463,
0,
0
],
[
0,
5.87325463,
0
],
[
0,
0,
4.23025601
]
] | agm001428834 | [
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[
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[
0,
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],
[
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] | [{"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": "I", "attached":... | [
"I",
"N",
"Se",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.16706616,
0,
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[
0,
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[
0,
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] | -23.261061 | [
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0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | -0.000027 | 4.626852 | pbe | true | 1e8b35a27a7c777571da99db60e1bb5e_123_La2Se1I1N1 |
[
"I",
"Mn",
"Sb",
"Sn"
] | 5 | A2BCD | I2MnSbSn | Mn1 Sn1 Sb1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
5.42120918,
0,
0
],
[
0,
5.42120918,
0
],
[
0,
0,
5.52434961
]
] | agm001711780 | [
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[
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],
[
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]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sb", "attached"... | [
"I",
"I",
"Sb",
"Mn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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0
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[
0,
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[
0,
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] | -19.138977 | [
0.029,
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[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 4.289764 | 3.485379 | pbe | true | 2d70b0580ab0248e9abda0228055d7da_123_Mn1Sn1Sb1I2 |
[
"I",
"Na",
"P",
"Rb"
] | 10 | A6B2CD | I6NaPRb2 | Rb2 Na1 P1 I6 | 4 | [
1,
1,
1
] | 3 | [
[
8.55626831,
0.00038625,
0.00013243
],
[
4.27843996,
7.409855,
0.0001866
],
[
4.27789281,
2.47020372,
6.56927078
]
] | agm004961795 | [
[
8.556216033130436,
4.940180031068887,
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[
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3.624640502320287
],
[
4.2783064001487965,
2.4702187832275357,
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],
[
6... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Rb",
"Na",
"P",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.1,
0.2
] | [
[
0.15838157,
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[
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[
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] | -26.089351 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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[
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0.0010... | 0.000005 | 0 | pbe | true | 59e5058a9e34193d0e3902f51ed95788_146_Rb2Na1P1I6 |
[
"I",
"Sb",
"Si",
"Zr"
] | 5 | A2BCD | ISb2SiZr | Zr1 Si1 Sb2 I1 | 4 | [
1,
1,
1
] | 3 | [
[
5.18146723,
0,
0
],
[
0,
5.18146723,
0
],
[
0,
0,
5.28282169
]
] | agm001782039 | [
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[
0,
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0
],
[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Sb",
"Sb",
"Si",
"Zr"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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[
0,
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[
0,
0,
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] | -20.447099 | [
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] | [
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.551289 | 4.024775 | pbe | true | 1f5a30103fe9ec19fb6e72ccab26eb37_123_Zr1Si1Sb2I1 |
[
"In",
"K",
"O",
"Pm"
] | 8 | A4B2CD | InK2O4Pm | K2 Pm1 In1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
3.50334204,
0,
0
],
[
0,
5.99231395,
0.07225543
],
[
0,
-2.12037916,
6.25601837
]
] | agm004785881 | [
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[
1.75167102,
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Pm",
"In",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
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0.4603725,
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[
0,
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[
0,
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] | -46.032951 | [
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0,
0,
0,
0
] | [
[
0,
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[
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[
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[
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[
0,
0.00155774,
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],
[
0,
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-0.00199272
]
] | 0.000045 | 0 | pbe | true | a51e53eec06fcc7483011b2db8ed694b_10_K2Pm1In1O4 |
[
"In",
"La",
"N",
"Pm"
] | 5 | A2BCD | InLaNPm2 | La1 Pm2 In1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.07999056,
0,
0
],
[
0,
5.02793571,
0
],
[
0,
0,
5.02793571
]
] | agm005013992 | [
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[
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[
0,
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0
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[
2.53999528,
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pm", "attached": ... | [
"La",
"Pm",
"Pm",
"In",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0
],
[
0,
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0
],
[
0,
0,
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]
] | -29.904421 | [
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0,
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0
] | [
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[
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[
0,
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0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000005 | 2.838244 | pbe | true | eadbeb0de2fbdfc26d374f5ca7e37880_123_La1Pm2In1N1 |
[
"In",
"Li",
"Mg",
"Sm"
] | 10 | A2BCD | In2LiMgSm | Li2 Sm2 Mg2 In4 | 4 | [
1,
1,
1
] | 3 | [
[
6.45177198,
0,
0
],
[
0,
5.77062752,
0
],
[
0,
0,
6.48284472
]
] | agm005006168 | [
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0
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2.356569071997216,
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0
],
[
4.696746... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached"... | [
"Li",
"Li",
"Sm",
"Sm",
"Mg",
"Mg",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.4,
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] | [
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0
],
[
0,
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[
0,
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] | -29.752759 | [
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] | [
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[
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"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
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0.00319894... | 1.003688 | 4.797853 | pbe | true | f20abf47603a1dc80c8803a38b432af3_10_Pm1In2Os1O8 |
[
"In",
"O",
"Pu",
"Rb"
] | 18 | A12B3C2D | InO12Pu3Rb2 | Rb2 Pu3 In1 O12 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004493102 | [
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[
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3.1795... | [{"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": "Rb", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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0.001... | 5.000001 | 8.477016 | pbe | true | 9a47e12a3c2b7edc23e3e907fa561f36_166_Rb2Pu3In1O12 |
[
"In",
"Pd",
"Pt",
"Zr"
] | 5 | A2BCD | InPdPtZr2 | Zr2 In1 Pd1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.9373276,
0,
0
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[
0,
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[
0,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pd", "attached"... | [
"Zr",
"Zr",
"Pd",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
0,
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[
0,
0,
0
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] | 0 | 5.388567 | pbe | true | 23eda1404433e7c44969adba615d0ac5_123_Zr2In1Pd1Pt1 |
[
"In",
"Sm",
"Te",
"Tl"
] | 12 | A6B3C2D | InSm2Te6Tl3 | Sm2 Tl3 In1 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004645735 | [
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[
1.2... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sm", "attached"... | [
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"Sm",
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"Tl",
"Tl",
"In",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
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0.5,
0.25
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[
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[
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[
0.001... | 0 | 1.421054 | pbe | true | 5e85abd7e252daa1e8b44ea2832f2902_12_Sm2Tl3In1Te6 |
[
"In",
"Sn",
"Te",
"Tl"
] | 12 | A3BCD | InSnTe3Tl | Tl2 In2 Sn2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.65768065,
0,
0
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[
0,
9.13499466,
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[
0,
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] | agm005025040 | [
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[
1.16442... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached"... | [
"Tl",
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"In",
"In",
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"Sn",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
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[
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] | -40.526926 | [
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[
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[
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... | 0 | 2.567668 | pbe | true | ccdca7f6be6942f6c9827ba1466c1e2a_11_Tl2In2Sn2Te6 |
[
"Ir",
"K",
"Np",
"O"
] | 18 | A12B3C2D | IrK2Np3O12 | K2 Np3 Ir1 O12 | 4 | [
1,
1,
1
] | 3 | [
[
7.50293856,
-0.16813139,
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[
3.55914618,
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[
3.55914618,
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6.27511283
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] | agm004493426 | [
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[
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3.1... | [{"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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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.05555555555555555,
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[
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] | -150.659644 | [
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[
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[
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0.00244... | 1.989908 | 14.668539 | pbe | true | e7387ee5c9f0ef5c04e94c87ebbcc333_166_K2Np3Ir1O12 |
[
"Ir",
"Mg",
"Ni",
"W"
] | 4 | ABCD | IrMgNiW | Mg1 Ni1 Ir1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.35228552,
0,
0
],
[
2.17614276,
3.76918983,
0
],
[
2.17614276,
1.25639661,
3.55362625
]
] | agm001917239 | [
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[
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3.76918983,
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],
[
4.35228552,
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1.776813125
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Ni",
"Mg",
"Ir",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
-2.8103616,
0
],
[
0,
0,
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] | -29.489994 | [
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0.067,
0.25
] | [
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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
]
] | 0.705835 | 4.229084 | pbe | true | 0a027c22dd193b822e1b5d1d205c1b26_216_Mg1Ni1Ir1W1 |
[
"Ir",
"Mo",
"Pt",
"V"
] | 4 | ABCD | IrMoPtV | V1 Mo1 Ir1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
3.88536212,
0,
0
],
[
0,
3.8540632,
0
],
[
0,
0,
3.91621993
]
] | agm005188338 | [
[
0,
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[
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0,
1.958109965
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[
1.94268106,
1.9270316,
0
],
[
0,
0,
0
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached"... | [
"V",
"Mo",
"Ir",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.1223598,
0,
0
],
[
0,
6.378996,
0
],
[
0,
0,
6.5302896
]
] | -36.568984 | [
0,
0,
0,
0
] | [
[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000002 | 1.86322 | pbe | true | 9611a8e46dc8d29edab70997cefb6f72_47_V1Mo1Ir1Pt1 |
[
"Ir",
"N",
"Pt",
"Se"
] | 5 | A2BCD | IrNPtSe2 | Ir1 Pt1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.1060955,
0,
0
],
[
0,
5.1060955,
0
],
[
0,
0,
3.59276
]
] | agm001795535 | [
[
2.55304775,
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1.79638
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[
0,
2.55304775,
0
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[
2.55304775,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1.79638
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached"... | [
"Ir",
"Se",
"Se",
"Pt",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.34191447,
0,
0
],
[
0,
0.34191447,
0
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[
0,
0,
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]
] | -24.571098 | [
0,
0,
0,
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0
] | [
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000046 | 5.436031 | pbe | true | bc93fabceb2e8133f9075e3ddf2842bf_123_Ir1Pt1Se2N1 |
[
"Ir",
"Nd",
"P",
"Se"
] | 12 | A6B3C2D | IrNd6P2Se3 | Nd6 P2 Ir1 Se3 | 4 | [
1,
1,
1
] | 3 | [
[
4.17282037,
0,
0
],
[
0,
8.53150681,
0.26147067
],
[
-2.08641019,
-2.50321078,
8.87097749
]
] | agm004605288 | [
[
1.7473028803679243e-8,
6.039668345055373,
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],
[
2.0864080760155006,
4.03768000135347,
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[
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2.878888999479289
],
[
0.0000020863728804010764,
2.0131456874285814,
0.12845622955031... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"P",
"P",
"Ir",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.5,
0.16666666666666666,
0.25
] | [
[
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0,
0
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[
0,
0.36680114,
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],
[
0,
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]
] | -77.550804 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0.0016883,
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[
0,
0.0011999,
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[
0,
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[
0,
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[
0,
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[
0,
-0.00239753,
-0.0... | 0 | 6.815533 | pbe | true | 4ee520bc791d8e6f90c653d1bfb48e31_12_Nd6P2Ir1Se3 |
[
"Ir",
"O",
"P",
"Re"
] | 5 | A2BCD | IrO2PRe | Re1 P1 Ir1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.68708567,
0,
0
],
[
0,
3.68708567,
0
],
[
0,
0,
5.4175055
]
] | agm001754750 | [
[
0,
0,
0
],
[
1.843542835,
1.843542835,
2.70875275
],
[
0,
1.843542835,
0
],
[
1.843542835,
0,
0
],
[
0,
0,
2.70875275
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Re",
"Ir",
"O",
"O",
"P"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.26512706,
0,
0
],
[
0,
0.26512706,
0
],
[
0,
0,
0.77931315
]
] | -37.780193 | [
0.002,
0.839,
0.026,
0.026,
0.007
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.014031 | 4.571371 | pbe | true | 1526ceee701713e95b6fc1d83afdc42f_123_Re1P1Ir1O2 |
[
"Ir",
"Ni",
"Pr",
"Tm"
] | 4 | ABCD | IrNiPrTm | Pr1 Tm1 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89669665,
0,
0
],
[
2.44834833,
4.24066369,
0
],
[
2.44834833,
1.41355456,
3.99813607
]
] | agm001357383 | [
[
4.8966966549999995,
2.827109125,
1.999068035
],
[
2.4483483274999998,
1.4135545625,
0.9995340175
],
[
7.345044982499999,
4.2406636875,
2.9986020525
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ni", "attached"... | [
"Pr",
"Ni",
"Ir",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.2139726,
0,
0
],
[
0,
-2.2139726,
0
],
[
0,
0,
-2.2139726
]
] | -25.967709 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000045 | 2.87661 | pbe | true | d3829cb8f3bee2bac11fce686bf7575b_216_Pr1Tm1Ni1Ir1 |
[
"Ir",
"O",
"Pd",
"Pt"
] | 5 | A2BCD | IrOPdPt2 | Ir1 Pd1 Pt2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.02064148,
0,
0
],
[
0,
3.57995227,
0
],
[
0,
0,
5.02064148
]
] | agm001564852 | [
[
0,
1.789976135,
0
],
[
0,
0,
0
],
[
2.51032074,
1.789976135,
2.51032074
],
[
0,
0,
2.51032074
],
[
2.51032074,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ir", "attached": ... | [
"O",
"Ir",
"Pd",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.17965336,
0,
0
],
[
0,
0.24190003,
0
],
[
0,
0,
0.17965336
]
] | -28.02546 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 7.322412 | pbe | true | 00436ee54bd938413a8ed0b00d503413_123_Ir1Pd1Pt2O1 |
[
"Ir",
"Rh",
"Sm",
"Zn"
] | 4 | ABCD | IrRhSmZn | Sm1 Zn1 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.63942628,
0,
0
],
[
2.31971314,
4.01786102,
0
],
[
2.31971314,
1.33928701,
3.7880757
]
] | agm001367759 | [
[
0,
0,
0
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[
2.31971314,
1.3392870074999998,
0.947018925
],
[
6.9591394200000005,
4.0178610225,
2.8410567749999998
],
[
4.63942628,
2.6785740149999997,
1.89403785
]
] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
"Zn",
"Ir",
"Rh",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.2330847,
0,
0
],
[
0,
5.2330847,
0
],
[
0,
0,
5.2330847
]
] | -23.807271 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.454823 | pbe | true | 62a9fc8fe967ca5cd6a6932d80984934_216_Sm1Zn1Ir1Rh1 |
[
"K",
"Mg",
"Ni",
"Pt"
] | 5 | A2BCD | KMg2NiPt | K1 Mg2 Ni1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89727161,
0,
0
],
[
0,
4.83192659,
0
],
[
0,
0,
4.89727161
]
] | agm001591434 | [
[
0,
0,
0
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[
2.448635805,
2.415963295,
2.448635805
],
[
0,
0,
2.448635805
],
[
2.448635805,
0,
0
],
[
0,
2.415963295,
0
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Ni",
"K",
"Mg",
"Mg",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
-1.3706986,
0,
0
],
[
0,
1.7454076,
0
],
[
0,
0,
-1.3706986
]
] | -15.532094 | [
0.011,
0,
-0.001,
0,
0.006
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.007897 | 3.002536 | pbe | true | 2205f8a935fb96e6879a7d5073c9a0b2_123_K1Mg2Ni1Pt1 |
[
"Er",
"Nd",
"Tb"
] | 19 | A12B6C | Er6NdTb12 | Tb12 Nd1 Er6 | 3 | [
1,
1,
1
] | 3 | [
[
8.44428497,
0.7091087,
0.84949505
],
[
-0.57926961,
8.45418421,
0.84949503
],
[
-0.57926963,
-0.67488961,
8.46991124
]
] | agm003686858 | [
[
5.984806255916536,
4.836075352630567,
4.797814322784976
],
[
2.9045230455106643,
6.500275761790936,
5.615577791960209
],
[
3.8728603541584863,
3.532492350926745,
7.399121805470315
],
[
1.300939474083464,
3.6523279473694323,
5.3710869972150235
],
[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Er", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Nd",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.3157894736842105,
0.05263157894736842,
0.631578947368421
] | [
[
0.87669706,
0.00613484,
0.00734927
],
[
0.00613472,
0.8785789,
0.00856251
],
[
0.00734937,
0.00856243,
0.8816891
]
] | -84.81816 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0003505,
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0.00084724
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[
0.00075665,
0.00047065,
0.00023038
],
[
0.00002621,
0.00076952,
0.00050424
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[
-0.0003505,
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-0.00084724
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[
-0.00075665,
-0.00047065,
-0.00023038
],
[
-0.00002621,
-0.000769... | -0.001393 | 33.13342 | pbe | true | b734f8511ed900bbd684ce3e2053d414_148_Tb12Nd1Er6 |
[
"K",
"Na",
"S",
"U"
] | 8 | A4B2CD | KNa2S4U | K1 Na2 U1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
5.57672376,
0.00288801,
0
],
[
-0.0027301,
5.57672384,
0
],
[
-2.78699683,
-2.78980592,
6.69102688
]
] | agm004788506 | [
[
2.78699683,
2.789805925,
0
],
[
-0.0013650499999999788,
2.7883619224999996,
3.34551344
],
[
0,
0,
0
],
[
2.78836188,
0.0014440074999999553,
3.34551344
],
[
2.7883618800000005,
0.0014440093640574363,
5.840005341493657
],
[
2.788361... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"Na",
"Na",
"U",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
0.7709452,
0.00002183,
0
],
[
0.00002183,
0.77094525,
0
],
[
0,
0,
0.41849414
]
] | -41.452686 | [
-0.002,
0,
-0.001,
1.211,
-0.048,
-0.048,
-0.039,
-0.039
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00041705
],
[
0,
0,
0.00041705
],
[
0,
0,
0.00273911
],
[
0,
0,
-0.00273911
]
] | 1.000355 | 4.065639 | pbe | true | b3cfc2ad9c00c2af5581ce9cf26e3fba_119_K1Na2U1S4 |
[
"K",
"Ni",
"P",
"S"
] | 5 | A2BCD | KNiP2S | K1 Ni1 P2 S1 | 4 | [
1,
1,
1
] | 3 | [
[
5.23926634,
0,
0
],
[
0,
5.23926634,
0
],
[
0,
0,
5.27625626
]
] | agm001765227 | [
[
2.61963317,
2.61963317,
2.63812813
],
[
0,
0,
0
],
[
0,
0,
2.63812813
],
[
0,
2.61963317,
0
],
[
2.61963317,
0,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": nu... | [
"Ni",
"K",
"S",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-1.0930029,
0,
0
],
[
0,
-1.0930029,
0
],
[
0,
0,
-0.90955067
]
] | -10.898191 | [
1.03,
0.027,
0.002,
0.189,
0.189
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.867318 | 10.68414 | pbe | true | 0ebca9f2c687dcb2a633a49f3dba25c6_123_K1Ni1P2S1 |
[
"K",
"Ni",
"Sn",
"V"
] | 5 | A2BCD | KNiSn2V | K1 V1 Ni1 Sn2 | 4 | [
1,
1,
1
] | 3 | [
[
5.22088218,
0,
0
],
[
0,
4.6174556,
0
],
[
0,
0,
5.22088218
]
] | agm001500681 | [
[
0,
2.3087278,
0
],
[
2.61044109,
2.3087278,
2.61044109
],
[
0,
0,
2.61044109
],
[
2.61044109,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Ni",
"K",
"Sn",
"Sn",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-0.63602364,
0,
0
],
[
0,
-2.358459,
0
],
[
0,
0,
-0.63602364
]
] | -22.133334 | [
0.063,
-0.004,
-0.013,
-0.018,
0.552
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.606601 | 4.73843 | pbe | true | ac9411f7395a6813e5835127689fb41d_123_K1V1Ni1Sn2 |
[
"K",
"Np",
"Tb",
"Te"
] | 8 | A4B2CD | K2NpTbTe4 | K2 Tb1 Np1 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
4.53872826,
0,
0
],
[
0,
7.88948357,
0.13897806
],
[
0,
-2.76939488,
8.16560789
]
] | agm004835489 | [
[
2.26936413,
-1.38469744,
4.082803945
],
[
0,
2.560044345,
4.152292975
],
[
2.26936413,
3.944741785,
0.06948903
],
[
0,
0,
0
],
[
2.26936413,
1.3072410226997173,
1.7430912366711167
],
[
2.26936413,
3.8128476673002827,
6.561... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": ... | [
"K",
"K",
"Tb",
"Np",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.125,
0.5
] | [
[
1.0684731,
0,
0
],
[
0,
1.0834509,
-0.01095919
],
[
0,
-0.01095917,
0.9002514
]
] | -41.454126 | [
0,
-0.002,
0.029,
3.982,
-0.053,
-0.053,
-0.023,
-0.023
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00117405,
-0.00280287
],
[
0,
-0.00117405,
0.00280287
],
[
0,
0.0000507,
0.0008981
],
[
0,
-0.0000507,
-0.0008981
]
] | 4.000006 | 7.150407 | pbe | true | 26ba07207580759c23446d1c54c516f7_10_K2Tb1Np1Te4 |
[
"K",
"Np",
"Se",
"Tm"
] | 11 | A6B2C2D | K2NpSe6Tm2 | K2 Tm2 Np1 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
7.14997122,
-0.02533309,
0.06424582
],
[
-3.55594697,
6.20306146,
0.06424582
],
[
-1.28046326,
-2.20097407,
7.81227542
]
] | agm004585329 | [
[
5.3553133160801005,
1.018747138291856,
0.06424582
],
[
-1.7612890660800993,
5.158981231708144,
0.06424582
],
[
-0.6287377665610975,
3.027140197864521,
3.97038353
],
[
2.942298756561098,
0.9496141021354791,
3.97038353
],
[
-0.64023163,
-1.1004... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Np", "attached": ... | [
"K",
"K",
"Tm",
"Tm",
"Np",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.09090909090909091,
0.5454545454545454,
0.18181818181818182
] | [
[
0.7418469,
0.04507455,
0.02953135
],
[
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... | -3.000001 | 4.227227 | pbe | true | 3500f3af1e3ae133a4333b8afbffdb08_12_K2Tm2Np1Se6 |
[
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1,
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0.00... | 1.072595 | 6.103723 | pbe | true | 6c7fb0a2e081b35f2255fcd3e0feccfa_82_K2Pm1Pt1O4 |
[
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1,
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-0.000... | 2.489399 | 6.56412 | pbe | true | 89becd37ee09cb86af172a5f08ab3625_166_K2V1Re3O12 |
[
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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,
1
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0,
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[
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[
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1,
1,
1
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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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "K", "attached": n... | [
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... | 16.000002 | 30.680782 | pbe | true | 3a1d5a5298a837c25c98e88ab5dfaec5_166_K4Pu3Th1S8 |
[
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1,
1,
1
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[
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0,
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[
0,
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"Ni",
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] | -0.000019 | 4.257856 | pbe | true | c99e4ae782136820b80d2697a09f56fc_123_Na1Li1La2Ni1 |
[
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1,
1,
1
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[
3.63861034,
0,
0
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[
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10.17770759,
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[
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... | 0.000006 | 11.464361 | pbe | true | 98c5b104dbfacd87b7f53316e224663e_127_La4Mg4Sn2Rh10 |
[
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] | 5 | A2BCD | LaMoRuZn2 | La1 Zn2 Mo1 Ru1 | 4 | [
1,
1,
1
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0,
0
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[
0,
5.06395872,
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] | -21.669481 | [
2.15,
0.278,
0.011,
0.008,
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[
0,
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0
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[
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 2.562528 | 5.455323 | pbe | true | 22bd9be90794f51718568730daa06c0a_123_La1Zn2Mo1Ru1 |
[
"La",
"N",
"O",
"Sc"
] | 12 | A4B3C3D2 | La3N3O4Sc2 | La3 Sc2 N3 O4 | 4 | [
1,
1,
1
] | 3 | [
[
4.14036771,
0.00064871,
-0.00030308
],
[
-0.00064311,
4.20084519,
-0.23530541
],
[
-2.06976735,
-2.75103528,
10.29519062
]
] | agm002163693 | [
[
2.07910689256959,
1.8462099731918309,
7.983062118214565
],
[
0.010135734726303046,
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[
2.079415840669791,
0.7240614531215175,
9.80700741039822
],
[
2.079579297625712,
-0.29704100311411413,
8.783679890041126
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Sc",
"N",
"N",
"N",
"O",
"O",
"O",
"O",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.3333333333333333,
0.16666666666666666
] | [
[
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[
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],
[
-0.00045073,
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] | -101.151368 | [
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0,
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] | [
[
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[
0.00018656,
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[
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[
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],
[
0.00018109,
0.00071652,
-0.00250142
],
[
-0.00009257,
-0.00... | 0 | 0 | pbe | true | 41a87c10cf9a577432f98a1fc9b4644f_1_La3Sc2N3O4 |
[
"La",
"N",
"O",
"Tc"
] | 5 | A2BCD | LaNO2Tc | La1 Tc1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.43095986,
0,
0
],
[
0,
3.65095721,
0
],
[
0,
0,
4.43095986
]
] | agm001489461 | [
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0,
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[
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[
0,
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2.21547993
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[
2.21547993,
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0
],
[
2.21547993,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tc", "attached": ... | [
"N",
"Tc",
"O",
"O",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
4.3391957,
0,
0
],
[
0,
5.3471217,
0
],
[
0,
0,
4.3391957
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] | -34.690781 | [
-0.071,
0.924,
0.19,
0.11,
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[
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.231445 | 2.936348 | pbe | true | a5db63f61c8e35513af3494e463d5457_123_La1Tc1N1O2 |
[
"La",
"Nd",
"Pb",
"Pm"
] | 4 | ABCD | LaNdPbPm | La1 Pm1 Nd1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.66131579,
0,
0
],
[
2.8306579,
4.90284329,
0
],
[
2.8306579,
1.6342811,
4.62244499
]
] | agm001407406 | [
[
8.4919736925,
4.9028432925,
3.4668337425
],
[
5.661315795,
3.268562195,
2.311222495
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[
2.8306578975,
1.6342810975,
1.1556112475
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[
0,
0,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Nd", "attached"... | [
"Pb",
"La",
"Nd",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.0859616,
0,
0
],
[
0,
2.0859616,
0
],
[
0,
0,
2.0859616
]
] | -18.811045 | [
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0.001,
0.003,
0.002
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.012354 | 7.612095 | pbe | true | 6b228ebfda2a0071d25e92951afcb1fc_216_La1Pm1Nd1Pb1 |
[
"La",
"Ni",
"Ru",
"Tb"
] | 4 | ABCD | LaNiRuTb | Tb1 La1 Ni1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.92733735,
0,
0
],
[
2.46366867,
4.26719931,
0
],
[
2.46366867,
1.42239977,
4.0231541
]
] | agm001310154 | [
[
7.3910060175000005,
4.26719931,
3.0173655750000004
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[
2.4636686725000003,
1.42239977,
1.005788525
],
[
4.927337345000001,
2.84479954,
2.01157705
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[
0,
0,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ni",
"Ru",
"Tb",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.2859516,
0,
0
],
[
0,
-2.2859516,
0
],
[
0,
0,
-2.2859516
]
] | -25.624947 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000413 | 4.106444 | pbe | true | a2e69274e5961f2034526f288fc4652b_216_Tb1La1Ni1Ru1 |
[
"La",
"O",
"P",
"V"
] | 5 | A2BCD | LaO2PV | La1 V1 P1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.01254688,
0,
0
],
[
0,
4.01254688,
0
],
[
0,
0,
4.81978425
]
] | agm001755573 | [
[
0,
0,
2.409892125
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[
0,
0,
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[
0,
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0
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[
2.00627344,
0,
0
],
[
2.00627344,
2.00627344,
2.409892125
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "V", "attached": n... | [
"P",
"V",
"O",
"O",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0,
0
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[
0,
0.47697297,
0
],
[
0,
0,
0.80273765
]
] | -35.695116 | [
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1.301,
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-0.078,
0.002
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.0548 | 2.705445 | pbe | true | 86406ec7da9489ed6af9f6a369391816_123_La1V1P1O2 |
[
"La",
"P",
"Pr",
"Y"
] | 8 | A4B2CD | LaP4PrY2 | La1 Pr1 Y2 P4 | 4 | [
1,
1,
1
] | 3 | [
[
4.13056113,
-0.00000207,
-0.00000131
],
[
0.00004338,
7.14167057,
-0.13859
],
[
0.00003878,
2.51460695,
6.69456216
]
] | agm004818569 | [
[
2.0653369044845498,
6.08545065520445,
6.62526294983523
],
[
0.000043145194794999996,
4.82810722570682,
3.278017037069065
],
[
0.0000387800046,
2.51461157706362,
6.69455532684784
],
[
2.0652999550046003,
1.2573070670636202,
3.3472735918478405
],
[
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "P", "attached":... | [
"La",
"Pr",
"Y",
"Y",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
0.4581764,
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[
0.0000031,
0.5786693,
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],
[
0.00000126,
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0.5149279
]
] | -56.890509 | [
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0,
0,
0,
0,
0,
0,
0
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[
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[
0,
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[
0,
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[
0,
0,
0
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[
3e-8,
0.00438894,
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[
-3e-8,
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[
-1e-8,
-0.00153141,
-0.00029544
],
[
1e-8,
0.00153141,
0.00029544
... | -0 | 0.759845 | pbe | true | b699b6c9ce5a2637c7f34dbe73a9611d_10_La1Pr1Y2P4 |
[
"Li",
"Lu",
"Mn",
"Ni"
] | 4 | ABCD | LiLuMnNi | Li1 Lu1 Mn1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
4.49546884,
0,
0
],
[
2.24773442,
3.89319022,
0
],
[
2.24773442,
1.29773007,
3.67053494
]
] | agm001356937 | [
[
2.24773442,
1.2977300725,
0.917633735
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[
0,
0,
0
],
[
4.49546884,
2.595460145,
1.83526747
],
[
6.7432032600000005,
3.8931902175,
2.752901205
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Lu",
"Mn",
"Li"
] | 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,
-1.6475248,
0
],
[
0,
0,
-1.6475248
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] | -21.50385 | [
-0.469,
0.208,
-3.673,
0.028
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -3.981401 | 2.333007 | pbe | true | 45d14780a3fb3093506a01b139c752f9_216_Li1Lu1Mn1Ni1 |
[
"Li",
"Mg",
"Np",
"O"
] | 12 | A6B3C2D | Li3Mg2NpO6 | Li3 Mg2 Np1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.43911994,
-0.05169977,
0.04730355
],
[
-2.7630167,
4.68534281,
0.04730355
],
[
-0.8484184,
-1.46902705,
4.95600238
]
] | agm004625072 | [
[
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3.0501839533116692,
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[
3.4554533465041186,
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[
0.9138424200000002,
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2.52530474
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[
-0.040188996892217554,
3.112807343482197,
0.04730355
],
[
2.7162922368922175,... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Li",
"Li",
"Li",
"Mg",
"Mg",
"Np",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.16666666666666666,
0.08333333333333333,
0.5
] | [
[
0.8770276,
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[
-0.06067725,
0.807009,
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],
[
0.0773864,
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0.55188537
]
] | -81.505182 | [
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0,
0,
2.196,
-0.03,
-0.048,
-0.03,
-0.03,
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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,
0
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[
0.00106424,
0.0041745,
-0.00263867
],
[
0.00... | 2 | 6.980777 | pbe | true | 89ec2b926eeef385788c0ed96f983719_12_Li3Mg2Np1O6 |
[
"Li",
"Mg",
"O",
"Sb"
] | 11 | A6B2C2D | Li2Mg2O6Sb | Li2 Mg2 Sb1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.33518274,
0.01015013,
0.03307501
],
[
-2.62812863,
4.6429751,
0.03307501
],
[
-0.9934647,
-1.70765544,
4.83918588
]
] | agm004579193 | [
[
3.9993257905141273,
0.7873131899854569,
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[
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[
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],
[
2.1267004653168975,
0.7339403354770868,
2.45266795
],
[
-0.49673235,
-0.8... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": ... | [
"Li",
"Li",
"Mg",
"Mg",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.5454545454545454,
0.09090909090909091
] | [
[
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[
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[
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] | -62.126224 | [
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-0.015,
0.043,
0.203,
0.043,
0.203,
0.203,
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[
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[
0.00064924,
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[
0.00226548,
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0... | 1.062025 | 5.386693 | pbe | true | a8d8f31dd8f9fa3a74368d3202e38252_12_Li2Mg2Sb1O6 |
[
"Li",
"Mg",
"S",
"U"
] | 8 | A4B2CD | Li2MgS4U | Li2 Mg1 U1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
3.82852336,
0,
0
],
[
0,
6.51328083,
0.12551113
],
[
0,
-2.26350261,
6.12466266
]
] | agm004827594 | [
[
1.91426168,
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3.06233133
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[
0,
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3.125086895
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[
0,
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[
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[
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1.034188372964521,
1.5019169995102661
],
[
1.91426168,
3.215589847035479,
4.74825... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Li",
"Li",
"Mg",
"U",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.5,
0.125
] | [
[
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],
[
0,
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],
[
0,
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] | -44.284787 | [
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2.037,
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[
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[
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[
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] | 2.000003 | 3.604978 | pbe | true | 0ed400f969d22578780189073efd610f_10_Li2Mg1U1S4 |
[
"Li",
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] | 5 | A2BCD | Li2MnNSe | Li2 Mn1 Se1 N1 | 4 | [
1,
1,
1
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] | 3.774552 | 2.092583 | pbe | true | 83bede2713fea9ff5c236b09e46f0c45_123_Li2Mn1Se1N1 |
[
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1,
1,
1
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0.00453... | 19.89845 | 1.294058 | pbe | true | b3312d302e7bf6d4bfa5673701bca1d4_63_Li2Pr2Mn4Se8 |
[
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1,
1,
1
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] | 4.542766 | 2.440396 | pbe | true | acb780ad5b150f4d67c72cb1a9b05ee2_10_Li2Mn1Sn1S4 |
[
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1,
1,
1
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] | 3.356155 | 2.391377 | pbe | true | 1569b70de6d6adf066014455276648d3_123_Li1Sb2Mo1Rh1 |
[
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1
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... | 2.001224 | 5.79713 | pbe | true | 68bf94f01dd2589438ab6cf3ba92c8e8_12_Li2Nd2U1S6 |
[
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1,
1,
1
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... | 1.977734 | 0 | pbe | true | ff8de6664a963855e0a2f265a4735f79_2_Li2Ni1W2O8 |
[
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1,
1,
1
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[
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... | 0.952297 | 0.859799 | pbe | true | 2acfa2b7acf66455e5b4edfedeb9d9af_160_Li1Sc4Si4O14 |
[
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"Rh",
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1,
1,
1
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] | -0.000413 | 4.085281 | pbe | true | 621801767d9cdc0e468abc01c2233e5c_123_Li2Ti1Sb1Rh1 |
[
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1,
1,
1
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[
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached"... | [
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[
0.000... | -0.000002 | 4.996648 | pbe | true | bd45baef976797f9e77b2c91b626a288_12_Li1Sm3Th2Se6 |
[
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"Th",
"Tm"
] | 4 | ABCD | LiScThTm | Li1 Tm1 Th1 Sc1 | 4 | [
1,
1,
1
] | 3 | [
[
5.32884327,
0,
0
],
[
2.66442163,
4.61491364,
0
],
[
2.66442163,
1.53830455,
4.35098231
]
] | agm001919313 | [
[
2.6644216325,
1.5383045475000001,
1.0877455775
],
[
0,
0,
0
],
[
5.328843265,
3.0766090950000002,
2.175491155
],
[
7.9932648975,
4.6149136425,
3.2632367325000002
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached"... | [
"Sc",
"Tm",
"Th",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
0.9223591,
0,
0
],
[
0,
0.9223591,
0
],
[
0,
0,
0.9223591
]
] | -19.368786 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000261 | 5.12872 | pbe | true | 7723fdbf4f2fc1f400889abbc7908d04_216_Li1Tm1Th1Sc1 |
[
"Lu",
"Mn",
"Os",
"Sc"
] | 4 | ABCD | LuMnOsSc | Lu1 Sc1 Mn1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.70747227,
0,
0
],
[
2.35373614,
4.07679058,
0
],
[
2.35373614,
1.35893019,
3.84363501
]
] | agm001389308 | [
[
7.0612084125,
4.0767905775,
2.8827262575
],
[
2.3537361375000003,
1.3589301925,
0.9609087525
],
[
4.707472275000001,
2.717860385,
1.921817505
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Lu",
"Os",
"Mn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.488975,
0,
0
],
[
0,
3.488975,
0
],
[
0,
0,
3.488975
]
] | -31.820992 | [
0.12,
0.1,
-0.154,
-3.444
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -3.43647 | 3.241517 | pbe | true | 74b819134eee4f261a8172fc6bf5aa6e_216_Lu1Sc1Mn1Os1 |
[
"Lu",
"Mg",
"Pb",
"Tl"
] | 4 | ABCD | LuMgPbTl | Lu1 Mg1 Tl1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.29904448,
0,
0
],
[
2.64952224,
4.58910714,
0
],
[
2.64952224,
1.52970238,
4.3266517
]
] | agm001392307 | [
[
5.29904448,
3.05940476,
2.16332585
],
[
0,
0,
0
],
[
2.64952224,
1.52970238,
1.081662925
],
[
7.94856672,
4.58910714,
3.2449887750000004
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached"... | [
"Pb",
"Tl",
"Lu",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.8794093,
0,
0
],
[
0,
3.8794093,
0
],
[
0,
0,
3.8794093
]
] | -12.731169 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000891 | 2.875128 | pbe | true | 78e14fea92db7a5a6642d3e5716066eb_216_Lu1Mg1Tl1Pb1 |
[
"Lu",
"Pb",
"Pt",
"Pu"
] | 4 | ABCD | LuPbPtPu | Lu1 Pu1 Pt1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16420324,
0,
0
],
[
2.58210162,
4.47233119,
0
],
[
2.58210162,
1.49077706,
4.21655429
]
] | agm001304413 | [
[
2.58210162,
1.4907770625,
1.0541385725
],
[
5.16420324,
2.981554125,
2.108277145
],
[
7.7463048599999995,
4.4723311875,
3.1624157175
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Pb",
"Lu",
"Pt",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.0038614,
0,
0
],
[
0,
6.0038614,
0
],
[
0,
0,
6.0038614
]
] | -30.54698 | [
0.072,
-0.011,
0.116,
-5.253
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -5.252858 | 11.043446 | pbe | true | 767075445007ef7954d5a04db552dcca_216_Lu1Pu1Pt1Pb1 |
[
"Mg",
"Mn",
"N",
"Ti"
] | 8 | A4B2CD | Mg2MnN4Ti | Mg2 Ti1 Mn1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
2.99572149,
0,
0
],
[
0,
5.14205082,
0.07672294
],
[
0,
-1.8077905,
4.9698447
]
] | agm004811242 | [
[
1.497860745,
-0.90389525,
2.48492235
],
[
0,
1.6671301599999997,
2.52328382
],
[
0,
0,
0
],
[
1.497860745,
2.57102541,
0.03836147
],
[
1.497860745,
0.8498667997556522,
1.160075422194709
],
[
1.497860745,
2.4843935202443475,
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ti", "attached"... | [
"Mg",
"Mg",
"Ti",
"Mn",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.5,
0.125
] | [
[
0.22736166,
0,
0
],
[
0,
0.24750236,
-0.01226572
],
[
0,
-0.01226566,
0.204204
]
] | -60.962909 | [
-0.004,
0.008,
0.047,
2.717,
0.028,
0.028,
0.022,
0.022
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00017215,
-0.00506136
],
[
0,
-0.00017215,
0.00506136
],
[
0,
-0.00306711,
0.00423205
],
[
0,
0.00306711,
-0.00423205
]
] | 3.007589 | 0.55504 | pbe | true | ecc5160c060c3f99b2531f20064feaa9_10_Mg2Ti1Mn1N4 |
[
"Mg",
"N",
"Pu",
"Ta"
] | 8 | A4B2CD | Mg2N4PuTa | Pu1 Mg2 Ta1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.22041608,
0,
0
],
[
0,
5.64936651,
0.1005929
],
[
0,
-1.96818821,
5.15089603
]
] | agm004841935 | [
[
0,
0,
0
],
[
1.61020804,
-0.984094105,
2.575448015
],
[
0,
1.84058915,
2.625744465
],
[
1.61020804,
2.824683255,
0.05029645
],
[
1.61020804,
1.0547101292535328,
1.274339383493696
],
[
1.61020804,
2.6264681707464677,
3.9771... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
"Mg",
"Mg",
"Ta",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.6133784,
0,
0
],
[
0,
0.727142,
-0.04662204
],
[
0,
-0.04662238,
0.5316398
]
] | -70.868329 | [
4.441,
0.004,
-0.003,
0.243,
-0.086,
-0.086,
-0.034,
-0.034
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0.00093746,
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[
0,
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0.00363009
],
[
0,
0.00197564,
-0.00026116
],
[
0,
-0.00197564,
0.00026116
]
] | 4.652978 | 6.194545 | pbe | true | 8ef92db97b9ae2441233103dbea94a29_10_Pu1Mg2Ta1N4 |
[
"Mg",
"N",
"O",
"Sm"
] | 10 | A6B2CD | Mg2NOSm6 | Sm6 Mg2 N1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
7.03960596,
0.00151908,
-0.00193245
],
[
0.00147276,
7.0395894,
-0.0020087
],
[
3.51920428,
3.5192736,
4.96716652
]
] | agm004923961 | [
[
3.5198507651657427,
3.51985658993136,
2.460694786915247
],
[
8.784053172661702,
8.78281460997077,
4.96407661086461
],
[
1.7784886909812925,
5.264028456525669,
-0.0019682429110235
],
[
8.781794409328153,
5.2963540759094485,
4.965213638373964
],
[
... | [{"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": "Sm", "attached": ... | [
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Mg",
"Mg",
"N",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.1,
0.6
] | [
[
0.23411864,
-0.00047738,
-0.00350964
],
[
-0.00047722,
0.23471446,
-0.00367073
],
[
-0.00350974,
-0.00367058,
0.20309097
]
] | -54.062418 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00019917,
0.0001915,
0.00295726
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[
-0.00050788,
-0.00049319,
-0.00041303
],
[
0.00034939,
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8.5e-7
],
[
-0.00034939,
0.00072884,
-8.5e-7
],
[
0.00050788,
0.00049319,
0.00041303
],
[
-0.00019917,
-0.0001915,
... | -0 | 9.071044 | pbe | true | d8e8196b08c9a33b4b65e2dc30986e4f_225_Sm6Mg2N1O1 |
[
"Mg",
"Na",
"O",
"Tc"
] | 20 | A6B2CD | MgNa2O6Tc | Mg1 Na2 O6 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
5.098908568,
0,
0
],
[
2.408143464,
6.858600714,
0
],
[
2.407847397,
-0.791030683,
6.813014505
]
] | oqmd-7980094 | [
[
3.682939999999999,
6.29184,
0.5049900000000002
],
[
6.23196,
-0.22427000000000008,
6.308020000000001
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[
3.680960000000001,
2.6480700000000006,
1.48505
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[
6.23019,
1.16999,
2.8019700000000003
],
[
3.68471,
4.89758,
4.01105
],
[
... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached":... | [
"Mg",
"Mg",
"Na",
"Na",
"Na",
"Na",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Tc",
"Tc"
] | 2024-11-01 00:00:00 | [
0.1,
0.2,
0.6,
0.1
] | [
[
47.37823545,
0.23437833,
0.33974408
],
[
0.23437833,
45.07304257,
-3.99539181
],
[
0.33974408,
-3.99539181,
44.24172665
]
] | -117.968 | [
0.009,
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0.001,
0.001,
0.001,
0.001,
0.08,
-0.019,
0.08,
0.005,
-0.019,
0.005,
0.005,
-0.019,
0.005,
0.08,
-0.019,
0.08,
0.755,
0.755
] | [
[
-0.002166,
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[
0.002166,
0.014051,
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[
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[
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[
0.002969,
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-0.011109
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[
0.002853,
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-0.009823
],
[
0... | 2.00173 | null | pbe | true | 61ee9ccd57a03dd80d07d56920b41383_15_Na4Mg2Tc2O12 |
[
"Mg",
"Na",
"O",
"Si"
] | 100 | A15B6C2D2 | Mg2Na2O15Si6 | Mg8 Na8 O60 Si24 | 4 | [
1,
1,
1
] | 3 | [
[
10.320221,
0,
0
],
[
0,
11.182467,
-2.399182
],
[
0,
0.040473,
11.43687
]
] | mp-12187 | [
[
7.74016575,
10.9893343149,
3.584213395800001
],
[
2.58005525,
5.8450756851,
9.972318604200002
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[
2.58005525,
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5.4534746042
],
[
7.74016575,
5.377864314900001,
-0.9346306042000001
],
[
7.851624136800001,
10.16269599915000... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached":... | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si"... | 2019-10-22 20:05:27 | [
0.08,
0.08,
0.6,
0.24
] | [
[
-0.03782155,
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0
],
[
0,
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],
[
0,
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]
] | -721.130472 | [
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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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],
[
0.00046912,
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0.00273752
],
[
-0.0... | 0 | 1.544091 | pbe | true | 8f183caafc8122c8f57ed7cc51072d8b_64_Na8Mg8Si24O60 |
[
"Mg",
"Na",
"P",
"Si"
] | 5 | A2BCD | MgNaPSi2 | Na1 Mg1 Si2 P1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86690327,
0,
0
],
[
0,
5.11977527,
0
],
[
0,
0,
4.86690327
]
] | agm001445456 | [
[
2.433451635,
2.559887635,
2.433451635
],
[
0,
0,
2.433451635
],
[
2.433451635,
0,
0
],
[
0,
0,
0
],
[
0,
2.559887635,
0
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached"... | [
"P",
"Si",
"Si",
"Mg",
"Na"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.9234436,
0,
0
],
[
0,
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],
[
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[
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[
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[
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] | 0 | 3.148474 | pbe | true | 74b095704d02767a7b0b146a53ad8265_123_Na1Mg1Si2P1 |
[
"Mg",
"Nd",
"Pm",
"Sm"
] | 20 | A6B2CD | MgNdPm2Sm6 | Pm4 Nd2 Sm12 Mg2 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004980802 | [
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[... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached"... | [
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"Sm",
"Sm",
"Sm",
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] | 2023-11-16 06:57:59 | [
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[
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0.00181749,
-0.001751... | -0.000116 | 26.86746 | pbe | true | 06dc8377e120cd967de21b13a55f15b0_15_Pm4Nd2Sm12Mg2 |
[
"Mg",
"Nd",
"Pr",
"Y"
] | 8 | A4B2CD | MgNdPr4Y2 | Pr4 Nd1 Y2 Mg1 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004855672 | [
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... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Mg", "attached"... | [
"Pr",
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[
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] | 0 | 10.131335 | pbe | true | 83a8a0742b198a42709721e4306307d4_123_Pr4Nd1Y2Mg1 |
[
"Mg",
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] | 4 | ABCD | MgNdScSm | Nd1 Sm1 Mg1 Sc1 | 4 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
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0
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[
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] | 0.321525 | 6.522505 | pbe | true | 80fc8eb5b6281e443a1239805932cd75_99_Nd1Sm1Mg1Sc1 |
[
"Mg",
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1,
1,
1
] | 3 | [
[
5.22434355,
0,
0
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[
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[
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[
-2.94550511493725... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mg", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
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0.0001... | 5.947448 | 4.765057 | pbe | true | 14eb1d78bef0e810571000e35a69de11_163_Mg2Sb2Os2O12 |
[
"Mg",
"O",
"U",
"Zr"
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1,
1,
1
] | 3 | [
[
5.35368041,
0,
0
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[
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[
0,
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[
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... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": ... | [
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-0.00... | -0 | 0 | pbe | true | faaa6f6c6e0341e171962c44e82400f2_163_Mg2Zr2U2O12 |
[
"Mg",
"Pt",
"Rh",
"U"
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1,
1,
1
] | 3 | [
[
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0,
0
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[
2.36238703,
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0
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[
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached"... | [
"Rh",
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0.25,
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[
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0,
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] | 1.88985 | 6.18816 | pbe | true | 3e7170cf2923fa780a2e2049dae49a9c_216_Mg1U1Rh1Pt1 |
[
"Mg",
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"V"
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1,
1,
1
] | 3 | [
[
4.63207192,
0,
0
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[
0,
4.76250185,
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mg",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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] | 0.100251 | 5.905202 | pbe | true | b0811afd1490e506e52989bb2138b658_123_Mg1V1Tc1Rh2 |
[
"O",
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"Ti",
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] | 64 | A5BCD | O5PTiTl | O40 P8 Ti8 Tl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.57356505,
0,
0
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[
0,
10.69808362,
0
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[
0,
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] | mp-6706 | [
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ti", "attached": nu... | [
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"... | 2011-08-12 20:37:35 | [
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] | -474.141389 | [] | [
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[
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0.0008772... | null | 2.210829 | pbe | true | b23a75b2c0656374d6c654616ac2cb16_33_Ti8Tl8P8O40 |
[
"Mn",
"Na",
"O",
"Pm"
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1,
1,
1
] | 3 | [
[
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[
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5.03778847099796... | [{"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": "Na", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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-0.00... | 7.927374 | 0 | pbe | true | 3a732e442939d597616683bb17fe690b_15_Na4Pm2Mn2O8 |
[
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"S",
"Sm"
] | 8 | A4B2CD | MnNa2S4Sm | Na2 Sm1 Mn1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
3.90887683,
0,
0
],
[
0,
6.59574383,
0.10133146
],
[
0,
-2.32025774,
6.63829588
]
] | agm004828303 | [
[
1.954438415,
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3.31914794
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[
0,
2.1377430449999997,
3.36981367
],
[
0,
0,
0
],
[
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[
1.954438415,
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1.4765107272328406
],
[
1.954438415,
2.968456042524185,
... | [{"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": ... | [
"Na",
"Na",
"Sm",
"Mn",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
0.92739135,
0,
0
],
[
0,
0.8133701,
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],
[
0,
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]
] | -42.966321 | [
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0.004,
0.02,
3.76,
-0.02,
-0.02,
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] | [
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0,
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[
0,
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[
0,
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[
0,
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[
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[
0,
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[
0,
0.00142543,
-0.00203389
],
[
0,
-0.00142543,
0.00203389
]
] | 3.999997 | 1.471494 | pbe | true | 05dcd0ad76eb1203ac42c8535134d14a_10_Na2Sm1Mn1S4 |
[
"Mn",
"Na",
"S",
"Ti"
] | 14 | A8B3C2D | Mn2NaS8Ti3 | Na1 Ti3 Mn2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.2382451,
0,
0
],
[
3.61912255,
6.26850414,
0
],
[
3.61912255,
2.08950138,
6.19764724
]
] | agm004670256 | [
[
10.857367649999999,
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[
7.23824148087745,
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[
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[
5.463764341789405,
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],
[
3.619... | [{"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": ... | [
"Na",
"Ti",
"Ti",
"Ti",
"Mn",
"Mn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.07142857142857142,
0.5714285714285714,
0.21428571428571427
] | [
[
0.97312707,
0,
0
],
[
0,
0.97312707,
0
],
[
0,
0,
1.0766528
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] | -90.980896 | [
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0.405,
4.15,
3.992,
-0.01,
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0.005,
0.005,
0.005,
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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,
0,
0.00245543
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[
0,
0,
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],
[... | 10.323983 | 5.695963 | pbe | true | f5f11fd1f691ca4dd3dc8679b4152ff9_160_Na1Ti3Mn2S8 |
[
"Mn",
"Nd",
"Rb",
"Se"
] | 16 | A4B2CD | MnNd2RbSe4 | Rb2 Nd4 Mn2 Se8 | 4 | [
1,
1,
1
] | 3 | [
[
4.24397447,
0,
0
],
[
-2.12198724,
7.40596781,
0
],
[
0,
0,
14.83929033
]
] | agm004777870 | [
[
-2.2272316896659996e-8,
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11.129467747500001
],
[
2.121987252272317,
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[
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8.281267041040472
],
[
2.121987254899351,
1.955948018342261,
0.8616218760404715
],
[... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached"... | [
"Rb",
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"Nd",
"Nd",
"Nd",
"Mn",
"Mn",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.125,
0.5
] | [
[
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0,
0
],
[
0,
0.5296274,
0
],
[
0,
0,
0.47411013
]
] | -90.560096 | [
0.003,
0.003,
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-0.049,
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-0.049,
3.835,
3.835,
0.037,
0.037,
0.037,
0.037,
0.011,
0.011,
0.044,
0.044
] | [
[
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,
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0
],
[
0,
... | 8.402576 | 6.081615 | pbe | true | 2b089dabfe184667cb416df77477ae29_63_Rb2Nd4Mn2Se8 |
[
"Mn",
"Nd",
"Sm",
"Zn"
] | 4 | ABCD | MnNdSmZn | Nd1 Sm1 Mn1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.1637537,
0,
0
],
[
2.58187685,
4.47194189,
0
],
[
2.58187685,
1.4906473,
4.21618724
]
] | agm001370578 | [
[
2.58187685,
1.4906472975,
1.05404681
],
[
7.7456305500000004,
4.4719418925,
3.16214043
],
[
5.1637537,
2.981294595,
2.10809362
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached"... | [
"Zn",
"Mn",
"Nd",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.7944721,
0,
0
],
[
0,
1.7944721,
0
],
[
0,
0,
1.7944721
]
] | -19.92548 | [
-0.015,
3.594,
-0.18,
-0.189
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.197253 | 5.058852 | pbe | true | 69abc2a8d8eb76f66431a08e86bdb271_216_Nd1Sm1Mn1Zn1 |
[
"Mn",
"O",
"Pb",
"Pu"
] | 16 | A5BCD | MnO5PbPu | Pu2 Mn2 Pb2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
6.16099607,
0.02286729,
-0.17090813
],
[
-1.77660771,
5.89932712,
-0.17090813
],
[
-2.0363578,
-2.75060186,
7.43154328
]
] | agm005066480 | [
[
-1.0181789,
-1.37530093,
3.71577164
],
[
0,
0,
0
],
[
3.211497481682402,
1.1419291109196528,
1.68697769
],
[
-0.8634669216824022,
2.029663439080346,
5.40274933
],
[
0.16673387612259705,
3.3960641768448205,
1.68697769
],
[
2.181296... | [{"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": "Pb", "attached": ... | [
"Pu",
"Pu",
"Mn",
"Mn",
"Pb",
"Pb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.125,
0.125
] | [
[
0.88273704,
0.17963152,
-0.01160767
],
[
0.17963152,
0.9923867,
-0.01567901
],
[
-0.01160769,
-0.01567904,
0.7515791
]
] | -132.438917 | [
2.758,
2.758,
4.465,
4.465,
0.001,
0.001,
-0.088,
-0.088,
-0.063,
-0.063,
-0.063,
-0.063,
-0.11,
-0.11,
-0.11,
-0.11
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00036848,
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0
],
[
-0.00036848,
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0
],
[
-0.00270832,
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0
],
[
0.00270832,
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0
],
[
-0.00176881,
0.00130951,
0
],
[
0.00176881,
... | 13.999996 | 8.311203 | pbe | true | b9ef1fdd60207f90cd3eaca61828a476_15_Pu2Mn2Pb2O10 |
[
"Mn",
"O",
"Sn",
"Tl"
] | 10 | A6B2CD | Mn2O6SnTl | Mn2 Tl1 Sn1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.53171688,
0.03226438,
-0.10168634
],
[
2.79370665,
4.67123591,
-0.04633829
],
[
2.68530896,
1.56954882,
4.85926945
]
] | agm004949032 | [
[
5.517396106404837,
3.1327161697640062,
2.189833508458652
],
[
2.6928135729332157,
1.5551128021186649,
4.477654825540673
],
[
2.756441928013975,
1.544065149179409,
0.46616117932782436
],
[
8.2668795523953,
4.680233332334333,
2.5680249905758203
],
[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached"... | [
"Mn",
"Mn",
"Tl",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
0.7549103,
0.02833552,
-0.1521145
],
[
0.02833558,
0.73481286,
-0.02323475
],
[
-0.15211365,
-0.02323501,
0.9804635
]
] | -64.774617 | [
4.033,
4.58,
0.025,
0.031,
-0.026,
-0.023,
0.037,
-0.023,
-0.027,
0.046
] | [
[
0.00155403,
0.00207384,
0.00015233
],
[
0.00123666,
-0.00078069,
-0.0007257
],
[
-0.00073055,
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-0.00196834
],
[
-0.00423052,
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-0.00026124
],
[
0.00040901,
-0.00033945,
0.0021189
],
[
-0.0008908,
0.00227... | 8.980349 | 0.496916 | pbe | true | 977189e77f56276046bc95656a4e7c06_1_Mn2Tl1Sn1O6 |
[
"Mn",
"Os",
"Ru",
"Si"
] | 4 | ABCD | MnOsRuSi | Mn1 Si1 Ru1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.19442781,
0,
0
],
[
2.09721391,
3.63248104,
0
],
[
2.09721391,
1.21082701,
3.42473597
]
] | agm001304887 | [
[
6.291641722499999,
3.6324810375,
2.5685519775
],
[
4.194427814999999,
2.421654025,
1.712367985
],
[
0,
0,
0
],
[
2.0972139074999996,
1.2108270125,
0.8561839925
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached"... | [
"Ru",
"Si",
"Mn",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.219207,
0,
0
],
[
0,
6.219207,
0
],
[
0,
0,
6.219207
]
] | -36.48423 | [
0.07,
0.028,
2.88,
-0.063
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.026435 | 2.22099 | pbe | true | 9a0a393726c92c5d7c2f53569e32677c_216_Mn1Si1Ru1Os1 |
[
"Mn",
"P",
"Rh",
"Ti"
] | 5 | A2BCD | MnP2RhTi | Ti1 Mn1 P2 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.28817511,
0,
0
],
[
0,
4.54249841,
0
],
[
0,
0,
4.28817511
]
] | agm001593003 | [
[
0,
0,
2.144087555
],
[
2.144087555,
0,
0
],
[
0,
0,
0
],
[
0,
2.271249205,
0
],
[
2.144087555,
2.271249205,
2.144087555
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached"... | [
"P",
"P",
"Mn",
"Rh",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
4.6890907,
0,
0
],
[
0,
3.4602528,
0
],
[
0,
0,
4.6890907
]
] | -33.110587 | [
-0.064,
-0.055,
0.982,
-0.226,
1.006
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.796006 | 6.244895 | pbe | true | 7b6e1fcaf581a4bef5a48eaf21ed1af6_123_Ti1Mn1P2Rh1 |
[
"Mn",
"Pm",
"Tb",
"Zn"
] | 4 | ABCD | MnPmTbZn | Tb1 Pm1 Mn1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.09634897,
0,
0
],
[
2.54817449,
4.41356768,
0
],
[
2.54817449,
1.47118923,
4.16115151
]
] | agm001370657 | [
[
0,
0,
0
],
[
5.096348975,
2.942378455,
2.080575755
],
[
7.6445234625,
4.4135676825,
3.1208636325
],
[
2.5481744875,
1.4711892275,
1.0402878775
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pm", "attached"... | [
"Zn",
"Mn",
"Tb",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.01361,
0,
0
],
[
0,
2.01361,
0
],
[
0,
0,
2.01361
]
] | -19.904955 | [
-0.021,
3.502,
-0.237,
-0.185
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.084775 | 5.116636 | pbe | true | 5ae243738cd0993dbd49f96cbd958ed5_216_Tb1Pm1Mn1Zn1 |
[
"Mn",
"Pm",
"Pt",
"Sn"
] | 10 | A4B3C2D | MnPm2Pt3Sn4 | Pm2 Mn1 Sn4 Pt3 | 4 | [
1,
1,
1
] | 3 | [
[
4.43524476,
0,
0
],
[
0,
4.43524476,
0
],
[
0,
0,
11.41323342
]
] | agm004516491 | [
[
2.21762238,
0,
2.935399976623031
],
[
0,
2.21762238,
8.477833443376968
],
[
2.21762238,
2.21762238,
5.70661671
],
[
2.21762238,
2.21762238,
0
],
[
0,
0,
0
],
[
2.21762238,
0,
7.24243766623596
],
[
0,
2.21762238... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
"Mn",
"Sn",
"Sn",
"Sn",
"Sn",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.3,
0.4
] | [
[
4.546406,
0,
0
],
[
0,
4.546406,
0
],
[
0,
0,
4.5784993
]
] | -59.835146 | [
0.009,
0.009,
3.599,
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... | 3.769417 | 5.292961 | pbe | true | f28f8fdc3c86961029a84f6e3591672b_115_Pm2Mn1Sn4Pt3 |
[
"Mn",
"Rb",
"Se",
"Tb"
] | 14 | A4BCD | MnRbSe4Tb | Rb2 Tb2 Mn2 Se8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
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[
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0.002899... | 5.99963 | 6.745567 | pbe | true | 3147a990c3f08dd9c024f850aac5aaee_11_Rb2Tb2Mn2Se8 |
[
"Mn",
"Sb",
"Te",
"Tl"
] | 5 | A2BCD | MnSbTe2Tl | Mn1 Tl1 Sb1 Te2 | 4 | [
1,
1,
1
] | 3 | [
[
5.80147508,
0,
0
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[
0,
5.80147508,
0
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[
0,
0,
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached"... | [
"Sb",
"Tl",
"Te",
"Te",
"Mn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
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[
0,
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[
0,
0,
0
]
] | 4.426194 | 5.96884 | pbe | true | 5837c08740d1aded8f9ebc071abc435f_123_Mn1Tl1Sb1Te2 |
[
"Mo",
"N",
"Nd",
"Re"
] | 20 | A6B2CD | MoN6Nd2Re | Nd4 Re2 Mo2 N12 | 4 | [
1,
1,
1
] | 3 | [
[
5.60721065,
0,
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[
0,
5.62820621,
0
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[
0.0184921,
0,
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] | agm004971383 | [
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[
2.772892408408333,
2.6212298812612618,
1.9568750612124932
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[... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Nd", "attached"... | [
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"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
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[
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] | -179.841327 | [
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0
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... | -0.000046 | 4.827769 | pbe | true | 95391dc5c4a977dec1af3409a0d3e460_14_Nd4Re2Mo2N12 |
[
"Mo",
"N",
"Pd",
"Se"
] | 5 | A2BCD | MoN2PdSe | Mo1 Pd1 Se1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.87931293,
0,
0
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[
0,
3.87931293,
0
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[
0,
0,
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] | agm001734789 | [
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0,
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pd", "attached"... | [
"Mo",
"Se",
"Pd",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
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[
0,
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[
0,
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] | -27.191505 | [
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0,
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[
0,
0,
0
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[
0,
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0
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] | 0.685138 | 6.484795 | pbe | true | cf4d9a25066b632e4c28c59ee2148cbe_123_Mo1Pd1Se1N2 |