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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ho",
"Pd",
"Sn",
"Tb"
] | 9 | A3B3C2D | Ho2Pd3Sn3Tb | Ho2 Pd3 Sn3 Tb1 | 4 | [
1,
1,
1
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[
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0
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[
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[
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"Ho",
"Ho",
"Pd",
"Pd",
"Pd",
"Sn",
"Sn",
"Sn",
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] | 2024-11-01 00:00:00 | [
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-0.022164,... | -0.007111 | null | pbe | true | 4472516c0a35bcd3b7e193530ebe7334_38_Tb1Ho2Sn3Pd3 |
[
"Ho",
"Sm",
"Te",
"Y"
] | 10 | A6B2CD | Ho2SmTe6Y | Sm1 Y1 Ho2 Te6 | 4 | [
1,
1,
1
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Y",
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"Ho",
"Te",
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[
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-0.0024921... | 0 | -0.000537 | pbe | true | 31c9aacecfaaa891d5e83c736c532200_146_Sm1Y1Ho2Te6 |
[
"I",
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"Os",
"P"
] | 12 | A6B3C2D | I3La6Os2P | La6 P1 Os2 I3 | 4 | [
1,
1,
1
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] | agm004651336 | [
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[
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "I", "attached":... | [
"La",
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"La",
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"Os",
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] | 2023-11-16 06:57:59 | [
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[
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-0.0028... | 0.005493 | 11.783382 | pbe | true | 56cb45a0580d055d848036ad46483c8a_12_La6P1Os2I3 |
[
"I",
"Re",
"Te",
"W"
] | 5 | A2BCD | I2ReTeW | Re1 Te1 W1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
5.30003784,
0,
0
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[
0,
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[
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] | agm001717018 | [
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"I",
"I",
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"Te",
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] | 2023-11-16 06:57:59 | [
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] | 0.220889 | 9.897742 | pbe | true | 5e583994a1ae8420e677bb961a146052_123_Re1Te1W1I2 |
[
"In",
"Ir",
"Se",
"Sn"
] | 5 | A2BCD | In2IrSeSn | In2 Sn1 Ir1 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
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[
0,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached"... | [
"Ir",
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] | 2023-11-16 06:57:59 | [
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[
0,
0,
0
]
] | 0 | 3.466001 | pbe | true | 299f805354f6f32337e94e5e943ac6ee_123_In2Sn1Ir1Se1 |
[
"In",
"K",
"Pd",
"Se"
] | 5 | A2BCD | InKPd2Se | K1 In1 Pd2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.68130384,
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[
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] | agm001489753 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"Se",
"Pd",
"Pd",
"In"
] | 2023-11-16 06:57:59 | [
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0,
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] | 0 | 0.499137 | pbe | true | 769aadce8460ad99ed0f78c8f8e60bba_123_K1In1Pd2Se1 |
[
"In",
"La",
"N",
"Sn"
] | 20 | A12B4C3D | InLa12N3Sn4 | La12 In1 Sn4 N3 | 4 | [
1,
1,
1
] | 3 | [
[
9.18320047,
0,
0
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[
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[
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] | agm004705750 | [
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[
4.4230... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "N", "attached":... | [
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"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
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... | 0 | 12.885148 | pbe | true | 0b6d77ced9260bfc1a23170253277428_229_La12In1Sn4N3 |
[
"In",
"La",
"Rh",
"Zn"
] | 5 | A2BCD | InLaRhZn2 | La1 Zn2 In1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
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] | agm001539567 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Zn",
"In",
"Rh",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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] | -10.333103 | [
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[
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0
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] | 0.355041 | 7.197993 | pbe | true | d13e50619febd2f4b918b7bed9c79deb_123_La1Zn2In1Rh1 |
[
"In",
"Li",
"Pm",
"Te"
] | 12 | A3BCD | InLiPmTe3 | Li2 Pm2 In2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.30314849,
0,
0
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[
0,
9.17783587,
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[
0,
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] | agm005036102 | [
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[
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... | [{"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": "Te", "attached"... | [
"Li",
"Li",
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"Pm",
"In",
"In",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
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0.5
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] | -48.178599 | [
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[
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-0... | 0.000001 | 5.702969 | pbe | true | 7d27c7a4d986a7671aa51a5524fe0df3_11_Li2Pm2In2Te6 |
[
"In",
"Lu",
"Ti",
"Y"
] | 4 | ABCD | InLuTiY | Y1 Lu1 Ti1 In1 | 4 | [
1,
1,
1
] | 3 | [
[
5.21307025,
0,
0
],
[
2.60653512,
4.51465127,
0
],
[
2.60653512,
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4.25645404
]
] | agm001291541 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Lu", "attached"... | [
"Y",
"Lu",
"Ti",
"In"
] | 2023-11-16 06:57:59 | [
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2.7467124
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] | -22.014582 | [
0.239,
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1.628,
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[
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0
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[
0,
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0
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[
0,
0,
0
]
] | 2.843924 | 4.379413 | pbe | true | 469314058a54612a7427c43176e80b6a_216_Y1Lu1Ti1In1 |
[
"In",
"Mg",
"Pd",
"Sn"
] | 20 | A5B2C2D | In2Mg5Pd2Sn | Mg10 In4 Sn2 Pd4 | 4 | [
1,
1,
1
] | 3 | [
[
3.45243753,
0,
0
],
[
0,
11.2036579,
0
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[
0,
0,
11.2036579
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] | agm005137519 | [
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[
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10.58051... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached"... | [
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"In",
"In",
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"Sn",
"Sn",
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"Pd",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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[
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... | 0.000015 | 7.964212 | pbe | true | 6e589263f9fe85780494d48cb299139f_127_Mg10In4Sn2Pd4 |
[
"In",
"Mg",
"Rb",
"Se"
] | 12 | A3BCD | InMgRbSe3 | Rb2 Mg2 In2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
4.09990748,
0,
0
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[
0,
8.85162633,
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[
0,
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] | agm005025365 | [
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[
1.02497687,
-0.731810... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mg", "attached"... | [
"Rb",
"Rb",
"Mg",
"Mg",
"In",
"In",
"Se",
"Se",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -42.886893 | [
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[
0,
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[
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0.00067757,
... | 0 | -0.002183 | pbe | true | 31013e7eafa0ae2833f22c50b7d28f19_11_Rb2Mg2In2Se6 |
[
"In",
"Mn",
"Pd",
"Ta"
] | 5 | A2BCD | InMnPd2Ta | Ta1 Mn1 In1 Pd2 | 4 | [
1,
1,
1
] | 3 | [
[
4.72785017,
0,
0
],
[
0,
4.67568427,
0
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[
0,
0,
4.72785017
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] | agm001592868 | [
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[
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[
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached"... | [
"Mn",
"In",
"Pd",
"Pd",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
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] | [
[
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[
0,
5.091482,
0
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[
0,
0,
4.7335033
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] | -26.342722 | [
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0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.899626 | 6.235283 | pbe | true | 6765944a3b396cce9a0e0913e281e6c0_123_Ta1Mn1In1Pd2 |
[
"In",
"N",
"Ni",
"Te"
] | 5 | A2BCD | InNNiTe2 | In1 Ni1 Te2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.60374705,
0,
0
],
[
0,
5.60374705,
0
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[
0,
0,
3.45209911
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] | agm001803911 | [
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[
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached"... | [
"Ni",
"N",
"Te",
"Te",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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[
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] | -21.497164 | [
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[
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[
0,
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[
0,
0,
0
]
] | 0.000045 | 3.499895 | pbe | true | 241dc036b8224eb4d1e7b43a78c7eced_123_In1Ni1Te2N1 |
[
"In",
"N",
"Nd",
"Tb"
] | 12 | A3BCD | InN3NdTb | Tb2 Nd2 In2 N6 | 4 | [
1,
1,
1
] | 3 | [
[
3.40157419,
0,
0
],
[
0,
6.55322959,
0.85115221
],
[
0,
-1.81873994,
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]
] | agm005040614 | [
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[
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[
0.8503935475,
0... | [{"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": "N", "attached":... | [
"Tb",
"Tb",
"Nd",
"Nd",
"In",
"In",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.16666666666666666,
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[
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0.44949403,
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[
0,
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] | -83.174183 | [
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[
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[
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[
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[
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[
0,
-0.000626,
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[
0,
-0.00261953,
-0.001... | 0 | 0.009731 | pbe | true | 6d6e59d3c3ff1ccb89f8b245dc6e90b2_11_Tb2Nd2In2N6 |
[
"In",
"Ni",
"P",
"Sr"
] | 8 | A4B2CD | InNi4P2Sr | Sr1 In1 Ni4 P2 | 4 | [
1,
1,
1
] | 3 | [
[
3.77709307,
0,
0
],
[
0,
3.77709307,
0
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[
0,
0,
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]
] | agm004772913 | [
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[
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[
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[
1.888546535,
1.88... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"In",
"Ni",
"Ni",
"Ni",
"Ni",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.25,
0.125
] | [
[
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[
0,
-4.44852,
0
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[
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0,
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] | -42.212421 | [
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[
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[
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[
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[
0,
0,
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[
0,
0,
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]
] | -0 | 5.499687 | pbe | true | 66923f5ef2a4f3e3d96f1dabb572cff5_123_Sr1In1Ni4P2 |
[
"In",
"Pr",
"Se",
"Sm"
] | 8 | A4B2CD | In2PrSe4Sm | Pr1 Sm1 In2 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
4.27887025,
-0.00000101,
-0.00000236
],
[
0.00004712,
8.09608194,
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],
[
0.00003916,
2.60517943,
6.94132435
]
] | agm004824425 | [
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2.1394935661808505,
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[
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[
2.1394547050079598,
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3.47065364967758
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Sm",
"In",
"In",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5,
0.125
] | [
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[
0.00000659,
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[
0.00000258,
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] | -39.235359 | [
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[
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[
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[
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[
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[
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[
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0.00220982
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[
1e-8,
0.00225618,
-0.00220982
... | -0 | -0.02646 | pbe | true | 9f4ed82a42828f2da4d0c8af95a26fba_10_Pr1Sm1In2Se4 |
[
"In",
"Pt",
"V",
"Zr"
] | 5 | A2BCD | InPtV2Zr | Zr1 V2 In1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.72655609,
0,
0
],
[
0,
5.18637928,
0
],
[
0,
0,
4.72655609
]
] | agm001446770 | [
[
0,
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[
2.363278045,
0,
0
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[
0,
2.59318964,
0
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[
2.363278045,
2.59318964,
2.363278045
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[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached"... | [
"V",
"V",
"Zr",
"Pt",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
4.981453,
0,
0
],
[
0,
-0.20920163,
0
],
[
0,
0,
4.981453
]
] | -27.308594 | [
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] | [
[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000157 | 13.340872 | pbe | true | a3c33853145a2ac967d1fe5c95dbd56c_123_Zr1V2In1Pt1 |
[
"In",
"Sm",
"Tm",
"Zn"
] | 7 | A2B2C2D | In2SmTm2Zn2 | Sm1 Tm2 Zn2 In2 | 4 | [
1,
1,
1
] | 3 | [
[
4.71568975,
0,
0
],
[
2.35784488,
4.08390712,
0
],
[
2.35784488,
1.36130238,
9.00329524
]
] | agm004552282 | [
[
0,
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0
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[
2.357847212978795,
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5.525412951971067
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[
7.073532297021206,
4.083905774885917,
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[
4.7156897540379035,
2.7226047480758075,
1.903035968338802
],
[
4.715689755962097,
2.722604751924193,
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Tm",
"Tm",
"Zn",
"Zn",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.2857142857142857,
0.2857142857142857
] | [
[
2.3732219,
0,
0
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[
0,
2.3732219,
0
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[
0,
0,
2.5026069
]
] | -23.576527 | [
0,
0,
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0,
0,
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0
] | [
[
0,
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[
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[
0,
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[
0,
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[
0,
0,
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[
0,
0,
-0.00296274
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[
0,
0,
0.00296274
]
] | -0.000001 | 3.438516 | pbe | true | b604a9d310ebfe3afc46dec3e8348c7e_166_Sm1Tm2Zn2In2 |
[
"Ir",
"K",
"Mg",
"Na"
] | 5 | A2BCD | IrKMgNa2 | K1 Na2 Mg1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
5.56303423,
0,
0
],
[
0,
5.93924451,
0
],
[
0,
0,
5.56303423
]
] | agm001479587 | [
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[
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[
0,
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0
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[
0,
0,
0
],
[
2.781517115,
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2.781517115
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Na",
"Na",
"K",
"Ir",
"Mg"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.1768334,
0,
0
],
[
0,
3.076217,
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[
0,
0,
1.1768334
]
] | -10.417075 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00001 | 2.074839 | pbe | true | 10275e41cb3d54cac59bea81ff970341_123_K1Na2Mg1Ir1 |
[
"Ir",
"K",
"N",
"Te"
] | 5 | A2BCD | IrKN2Te | K1 Te1 Ir1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
4.52560203,
0,
0
],
[
0,
4.52560203,
0
],
[
0,
0,
6.86134194
]
] | agm001738233 | [
[
0,
0,
0
],
[
2.262801015,
2.262801015,
3.43067097
],
[
0,
0,
3.43067097
],
[
0,
2.262801015,
0
],
[
2.262801015,
0,
0
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached": ... | [
"K",
"Ir",
"Te",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.1777565,
0,
0
],
[
0,
0.1777565,
0
],
[
0,
0,
0.61966246
]
] | -15.788261 | [
0.17,
1.546,
0.18,
1.711,
1.711
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.188743 | 7.60489 | pbe | true | 793ad7736e4c66a21cad16f376281d5e_123_K1Te1Ir1N2 |
[
"Ir",
"K",
"O",
"Ru"
] | 10 | A6B2CD | IrK2O6Ru | K2 Ir1 Ru1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
3.95295601,
0,
0
],
[
0,
5.57832871,
0
],
[
0,
0,
5.57832871
]
] | agm004922503 | [
[
0.5722980609692124,
2.789164355,
0
],
[
0.5722980609692124,
0,
2.789164355
],
[
2.5484656798633067,
2.789164355,
2.789164355
],
[
2.5486647507279705,
0,
0
],
[
2.5481297971911374,
1.393133485534013,
1.393133485534013
],
[
2.548129... | [{"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": "Ru", "attached": nu... | [
"K",
"K",
"Ir",
"Ru",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.6,
0.1
] | [
[
1.0201843,
0,
0
],
[
0,
0.90427107,
0
],
[
0,
0,
0.90427107
]
] | -60.04261 | [
0.001,
0.001,
0.008,
0.592,
0.084,
0.084,
-0.027,
0.061,
0.084,
0.084
] | [
[
-0.00148176,
0,
0
],
[
-0.00148176,
0,
0
],
[
0.00018013,
0,
0
],
[
-0.00032473,
0,
0
],
[
0.0007304,
0.00157018,
0.00157018
],
[
0.0007304,
0.00157018,
-0.00157018
],
[
-0.0002787,
0,
0
],
[
0.0004... | 1.063744 | 8.09971 | pbe | true | f0b23340dda5363128cc01b5c851b984_123_K2Ir1Ru1O6 |
[
"Ir",
"Li",
"N",
"Se"
] | 5 | A2BCD | IrLiN2Se | Li1 Ir1 Se1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.7682114,
0,
0
],
[
0,
3.7682114,
0
],
[
0,
0,
5.57318602
]
] | agm001734497 | [
[
0,
0,
0
],
[
1.8841057,
1.8841057,
2.78659301
],
[
0,
0,
2.78659301
],
[
0,
1.8841057,
0
],
[
1.8841057,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Li",
"Se",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.45480606,
0,
0
],
[
0,
0.45480606,
0
],
[
0,
0,
0.77317107
]
] | -28.88817 | [
-0.015,
0,
0.01,
0.096,
0.096
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.263066 | 3.221112 | pbe | true | 538ebfe7fe6bf245e461050ef38d2025_123_Li1Ir1Se1N2 |
[
"Ir",
"Lu",
"Tb",
"Zn"
] | 4 | ABCD | IrLuTbZn | Tb1 Lu1 Zn1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.88597502,
0,
0
],
[
2.44298751,
4.23137849,
0
],
[
2.44298751,
1.4104595,
3.9893819
]
] | agm001368021 | [
[
7.32896253,
4.231378492499999,
2.992036425
],
[
0,
0,
0
],
[
4.88597502,
2.820918995,
1.99469095
],
[
2.44298751,
1.4104594975,
0.997345475
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached"... | [
"Tb",
"Zn",
"Ir",
"Lu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.5515573,
0,
0
],
[
0,
1.5515573,
0
],
[
0,
0,
1.5515573
]
] | -21.91301 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000062 | 2.825347 | pbe | true | 23d68bc9c750b8adfdae7be267d2166b_216_Tb1Lu1Zn1Ir1 |
[
"Ir",
"Mg",
"Pm",
"Si"
] | 6 | A2B2CD | Ir2MgPmSi2 | Pm1 Mg1 Si2 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
4.24724592,
0,
0
],
[
-2.12362296,
3.67822286,
0
],
[
0,
0,
6.77355797
]
] | agm004752582 | [
[
0,
0,
0
],
[
0,
0,
3.386778985
],
[
2.1236229812362297,
1.2260742744059236,
4.883029152951627
],
[
-2.123622967800699e-8,
2.452148585594076,
1.8905288170483725
],
[
2.1236229812362297,
1.2260742744059236,
2.3923302480051003
],
[
-... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Mg",
"Si",
"Si",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] | [
[
2.0299509,
0,
0
],
[
0,
2.0299509,
0
],
[
0,
0,
2.3605845
]
] | -39.681296 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00402444
],
[
0,
0,
0.00402444
],
[
0,
0,
-0.00192567
],
[
0,
0,
0.00192567
]
] | -0.000018 | 3.527262 | pbe | true | 54fed7e2b5dd96cd73fc4e20863dc719_164_Pm1Mg1Si2Ir2 |
[
"Ir",
"Mn",
"Tc",
"Ti"
] | 4 | ABCD | IrMnTcTi | Ti1 Mn1 Tc1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.32966046,
0,
0
],
[
2.16483023,
3.74959595,
0
],
[
2.16483023,
1.24986532,
3.53515296
]
] | agm001293651 | [
[
4.32966046,
2.4997306349999997,
1.76757648
],
[
0,
0,
0
],
[
6.49449069,
3.7495959525,
2.65136472
],
[
2.16483023,
1.2498653174999999,
0.88378824
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Tc",
"Mn",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.855437,
0,
0
],
[
0,
4.855437,
0
],
[
0,
0,
4.855437
]
] | -37.946759 | [
0.146,
-0.282,
3.061,
0.131
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.134516 | 3.943265 | pbe | true | 0946a03d2f9ae315ac96780024a4244a_216_Ti1Mn1Tc1Ir1 |
[
"Ir",
"Mn",
"S",
"Sr"
] | 5 | A2BCD | IrMnSSr2 | Sr2 Mn1 Ir1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
5.72651464,
0,
0
],
[
0,
4.7308853,
0
],
[
0,
0,
5.72651464
]
] | agm001585224 | [
[
0,
0,
2.86325732
],
[
2.86325732,
0,
0
],
[
2.86325732,
2.36544265,
2.86325732
],
[
0,
0,
0
],
[
0,
2.36544265,
0
]
] | [{"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": "Ir", "attached": ... | [
"Sr",
"Sr",
"S",
"Ir",
"Mn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.0511155,
0,
0
],
[
0,
3.8003738,
0
],
[
0,
0,
0.0511155
]
] | -26.363481 | [
0.004,
0.003,
0.074,
0.261,
4.022
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.892139 | 1.87968 | pbe | true | b0806822fce23cc97692ef8cce7258db_123_Sr2Mn1Ir1S1 |
[
"Ir",
"Nd",
"Pt",
"Sb"
] | 10 | A4B3C2D | Ir3Nd2PtSb4 | Nd2 Sb4 Ir3 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.61582092,
0,
0
],
[
0,
4.61582092,
0
],
[
0,
0,
10.40408071
]
] | agm004518905 | [
[
2.30791046,
0,
2.6706815322202617
],
[
0,
2.30791046,
7.733399177779738
],
[
2.30791046,
2.30791046,
0
],
[
0,
0,
0
],
[
2.30791046,
0,
6.57725642508412
],
[
0,
2.30791046,
3.8268242849158804
],
[
0,
0,
5.2... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached"... | [
"Nd",
"Nd",
"Sb",
"Sb",
"Sb",
"Sb",
"Ir",
"Ir",
"Ir",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3,
0.2,
0.1,
0.4
] | [
[
2.3302774,
0,
0
],
[
0,
2.3302774,
0
],
[
0,
0,
2.3745327
]
] | -65.118132 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00278402
],
[
0,
0,
0.00278402
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
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[
0,
0,
0.00805273
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[
0,
0,
0
],
[
0,
0,
0.00232108
],
[
0,
0,
-0.00232108
],
... | 0.000022 | 5.913016 | pbe | true | 9594bd1dd7653a2fb52283a4b438ae7c_115_Nd2Sb4Ir3Pt1 |
[
"Ir",
"Np",
"S",
"Tl"
] | 15 | A8B3C3D | IrNp3S8Tl3 | Np3 Tl3 Ir1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.70340236,
0.00315644,
-0.00857509
],
[
-3.84897818,
6.66715167,
-0.02861369
],
[
-0.01117168,
-4.41988537,
7.82089977
]
] | agm004694808 | [
[
3.84611534,
-2.2083644650000003,
3.90616234
],
[
1.92162625,
1.1252113699999997,
3.8918554949999997
],
[
-1.93007493,
1.1236331499999999,
3.8961430399999997
],
[
0,
0,
0
],
[
-1.92448909,
3.333575835,
-0.014306845
],
[
1.92721209,... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Np",
"Np",
"Np",
"Tl",
"Tl",
"Tl",
"Ir",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.2,
0.5333333333333333,
0.2
] | [
[
1.604861,
-0.08952712,
0.11137955
],
[
-0.08952723,
1.662633,
0.05382784
],
[
0.11137952,
0.05382787,
1.4815162
]
] | -100.264768 | [
3.574,
3.574,
-3.445,
-0.006,
-0.006,
0.014,
0.027,
-0.033,
-0.033,
0,
0,
0,
0,
-0.072,
-0.072
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00152994,
0.00069715,
0.0009699
],
[
0.00152994,
-0.00069715,
-0.0009699
],
... | 3.800602 | 23.007048 | pbe | true | 2fad1cf89b607c6f842dcb92bfb83b9c_12_Np3Tl3Ir1S8 |
[
"K",
"La",
"Os",
"Y"
] | 5 | A2BCD | KLaOsY2 | K1 La1 Y2 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
5.60092751,
0,
0
],
[
0,
5.68658845,
0
],
[
0,
0,
5.60092751
]
] | agm001501992 | [
[
0,
0,
2.800463755
],
[
2.800463755,
0,
0
],
[
2.800463755,
2.843294225,
2.800463755
],
[
0,
0,
0
],
[
0,
2.843294225,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": ... | [
"Y",
"Y",
"K",
"Os",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.2514224,
0,
0
],
[
0,
1.6941262,
0
],
[
0,
0,
2.2514224
]
] | -29.878281 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.48121 | pbe | true | 3293dcd46b91b49eb01dafb2505262c1_123_K1La1Y2Os1 |
[
"K",
"Li",
"O",
"Sn"
] | 14 | A8B3C2D | K2LiO8Sn3 | K2 Li1 Sn3 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.41389668,
0,
0
],
[
3.20694834,
5.55459746,
0
],
[
3.20694833,
1.85153248,
6.60151545
]
] | agm004670333 | [
[
3.206951508852812,
1.8515343156664654,
3.978102652928907
],
[
6.413893435843272,
3.703063099859586,
3.392455019115753
],
[
9.620845050431186,
5.554597477423126,
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[
8... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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... | 1.007727 | 6.403513 | pbe | true | d314a3817e695232f9b9a1a9205ef789_160_K2Li1Sn3O8 |
[
"K",
"Mg",
"O",
"Pd"
] | 5 | A2BCD | KMgO2Pd | K1 Mg1 Pd1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.9639814,
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"O",
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"Mg",
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] | 2023-11-16 06:57:59 | [
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] | -1.575101 | 2.410989 | pbe | true | fdb86b67d7a9218e5021d8129c458431_123_K1Mg1Pd1O2 |
[
"K",
"Mn",
"Nb",
"O"
] | 14 | A8B3C2D | K3MnNb2O8 | K3 Mn1 Nb2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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0
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[
0,
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] | agm004668892 | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.00... | 1.998941 | 3.717749 | pbe | true | 40853e4987f3d87eb959c2c2acdece4b_164_K3Mn1Nb2O8 |
[
"K",
"Mn",
"Pu",
"S"
] | 16 | A4B2CD | K2MnPuS4 | K4 Pu2 Mn2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
8.23670301,
-0.09925157,
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[
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[
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5.75488388163472... | [{"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": "K", "attached": n... | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.0000... | 0.552792 | 25.881807 | pbe | true | 57d668ba028a823f4f155a037f180543_74_K4Pu2Mn2S8 |
[
"K",
"Mn",
"S",
"Y"
] | 16 | A4B2CD | K2MnS4Y | K4 Y2 Mn2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
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-0.20214861,
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[
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[
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[
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "K", "attached": n... | [
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"S",
"S",
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] | 2023-11-16 06:57:59 | [
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[
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0.00014268... | 7.992312 | 1.533722 | pbe | true | dc401c0155d6c0c1b8bb8bb510d71df3_74_K4Y2Mn2S8 |
[
"K",
"N",
"O",
"Rb"
] | 12 | A6B3C2D | K3N2O6Rb | K3 Rb1 N2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.79151729,
0,
0
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[
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0
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[
0,
0,
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[
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[
-3.... | [{"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": "Rb", "attached": nu... | [
"K",
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"N",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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... | 2.001767 | 0.365167 | pbe | true | 71514d249d053114ce5554e578f6b218_164_K3Rb1N2O6 |
[
"K",
"Mn",
"Tb",
"Te"
] | 16 | A8B4C3D | K4MnTb3Te8 | K4 Tb3 Mn1 Te8 | 4 | [
1,
1,
1
] | 3 | [
[
8.87990737,
0,
0
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[
0,
9.69317656,
0.5687282
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[
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] | agm004733281 | [
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[
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[... | [{"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": ... | [
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"Te",
"Te",
"Te",
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"Te",
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] | 2023-11-16 06:57:59 | [
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... | 4.050395 | 4.120272 | pbe | true | 1e2335ae5e75b2f31d07a92fdb81a371_166_K4Tb3Mn1Te8 |
[
"K",
"N",
"Pa",
"Ru"
] | 16 | A4B2CD | KN4Pa2Ru | K2 Pa4 Ru2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
3.59549588,
0,
0
],
[
-1.79774794,
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0
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[
0,
0,
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] | agm004776334 | [
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[
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[
1... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ru", "attached": ... | [
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"Ru",
"Ru",
"N",
"N",
"N",
"N",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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[
0,
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0
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[
0,... | 0 | 4.604018 | pbe | true | 90482a1efaca51765970199b91d4e817_63_K2Pa4Ru2N8 |
[
"K",
"Na",
"Rb",
"Tl"
] | 20 | A5B2C2D | K5Na2Rb2Tl | K10 Rb4 Na4 Tl2 | 4 | [
1,
1,
1
] | 3 | [
[
4.5300257,
0,
0
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[
0,
16.42064603,
0
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[
0,
0,
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] | agm005141397 | [
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[
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15.6509... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached":... | [
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] | 2023-11-16 06:57:59 | [
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] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
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[
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[
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] | -12.989104 | [
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[
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[
0,
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] | -0.000216 | 5.004975 | pbe | true | 37dbd197652d2447e0a1a8457c8c078b_216_Li1La1Tm1Zn1 |
[
"La",
"Mg",
"Nd",
"Pm"
] | 18 | A5B2CD | La5MgNdPm2 | La10 Pm4 Nd2 Mg2 | 4 | [
1,
1,
1
] | 3 | [
[
5.69061937,
0,
0
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[
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0
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[
0,
0,
11.10147135
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] | agm005163489 | [
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nd", "attached"... | [
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"La",
"La",
"La",
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"Pm",
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"Nd",
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"Mg"
] | 2023-11-16 06:57:59 | [
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... | 0.000007 | 28.075079 | pbe | true | 395ae812a7e44bb519c76bbe28432180_36_La10Pm4Nd2Mg2 |
[
"La",
"Mg",
"O",
"Te"
] | 9 | A6BCD | LaMgO6Te | La1 Mg1 Te1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.3474688,
0.00008684,
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[
2.67384904,
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[
0.00010445,
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] | agm005078329 | [
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"La",
"Mg",
"Te",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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] | -57.57216 | [
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[
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-0.0016... | 1.063854 | 7.045606 | pbe | true | ad95b050f0036d8156cc2fd3e46cde5b_149_La1Mg1Te1O6 |
[
"La",
"N",
"P",
"S"
] | 5 | A2BCD | LaNPS2 | La1 P1 S2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.81608285,
0,
0
],
[
0,
4.81608285,
0
],
[
0,
0,
3.6169172
]
] | agm001773815 | [
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[
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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": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": n... | [
"P",
"S",
"S",
"N",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
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0.4
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[
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[
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] | -29.631956 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.000001 | 2.241883 | pbe | true | 2de285e9d518ae0986affe5550782dc1_123_La1P1S2N1 |
[
"La",
"Na",
"Sn",
"Te"
] | 12 | A6B3C2D | La2NaSn3Te6 | Na1 La2 Sn3 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.52789478,
0,
0
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[
0,
9.29217217,
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[
-2.26394739,
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] | agm004602940 | [
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[
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[
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],
[
2.263947367360526,
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6.5899756... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"La",
"La",
"Sn",
"Sn",
"Sn",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.25,
0.5
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[
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[
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] | -51.688473 | [
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[
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[
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[
0,
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[
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-0.00... | 0.000104 | 5.210457 | pbe | true | 9b260f39c8c16677e4c52a4d3c163a25_12_Na1La2Sn3Te6 |
[
"La",
"O",
"P",
"Y"
] | 5 | A2BCD | LaOP2Y | La1 Y1 P2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.4431845,
0,
0
],
[
0,
5.4431845,
0
],
[
0,
0,
4.22412659
]
] | agm001763286 | [
[
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2.112063295
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[
0,
2.72159225,
0
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[
2.72159225,
0,
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[
0,
0,
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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": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "P", "attached": n... | [
"Y",
"P",
"P",
"O",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
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[
0,
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[
0,
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] | -30.693636 | [
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[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.004805 | 6.178133 | pbe | true | 95c07044a0e11d02c459efb42f1930f6_123_La1Y1P2O1 |
[
"La",
"O",
"P",
"Zn"
] | 8 | ABCD | LaOPZn | La1 O1 P1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.030334,
0,
0
],
[
0,
4.030334,
0
],
[
0,
0,
8.902337
]
] | oqmd-3119134 | [
[
1.00759,
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1.247980000000002
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[
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3.0227600000000017,
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[
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0
],
[
1.00759,
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0
],
[
3.0227600000000017,
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2.987470000000004
],... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": n... | [
"La",
"La",
"O",
"O",
"P",
"P",
"Zn",
"Zn"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
[
10.84744,
0,
0
],
[
0,
10.84744,
0
],
[
0,
0,
9.18036
]
] | -48.2667 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
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[
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[
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[
0,
0,
0.016004
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000442 | null | pbe | true | d7fd0e093a15e807dbf323f19a067444_129_La2Zn2P2O2 |
[
"La",
"S",
"Sb",
"Sr"
] | 5 | A2BCD | La2SSbSr | Sr1 La2 Sb1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
6.00480998,
0,
0
],
[
0,
6.00480998,
0
],
[
0,
0,
6.10124499
]
] | agm001428779 | [
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[
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[
0,
0,
3.050622495
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[
0,
3.00240499,
0
],
[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Sb",
"S",
"Sr",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -20.621631 | [
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0.012,
0.126,
0.126
] | [
[
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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
]
] | 0.683009 | 7.621876 | pbe | true | 50cae70be4bf6c0d8c981a995a2663c7_123_Sr1La2Sb1S1 |
[
"Li",
"Mg",
"Na",
"P"
] | 5 | A2BCD | Li2MgNaP | Na1 Li2 Mg1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
4.87423049,
0,
0
],
[
0,
4.87423049,
0
],
[
0,
0,
5.03120989
]
] | agm001647814 | [
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[
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[
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[
2.437115245,
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],
[
2.437115245,
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]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached"... | [
"P",
"Mg",
"Li",
"Li",
"Na"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.36195964,
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[
0,
0.36195964,
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[
0,
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]
] | -13.394195 | [
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[
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.585134 | pbe | true | 85883aff285c05654c5791e41674c9e6_123_Na1Li2Mg1P1 |
[
"Li",
"Mg",
"Pm",
"Zn"
] | 8 | A4B2CD | LiMgPm4Zn2 | Li1 Pm4 Mg1 Zn2 | 4 | [
1,
1,
1
] | 3 | [
[
5.27138334,
0,
0
],
[
2.63569167,
4.56515188,
0
],
[
2.63569166,
1.52171729,
8.59955654
]
] | agm004802502 | [
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5.2713833349999994,
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[
5.271383331305886,
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[
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[
2.635691637442379,
1.521717276049259,
5.332330635571547
],
[
5.271383338... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached"... | [
"Li",
"Pm",
"Pm",
"Pm",
"Pm",
"Mg",
"Zn",
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] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.5,
0.25
] | [
[
1.028021,
0,
0
],
[
0,
1.028021,
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[
0,
0,
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] | -26.286372 | [
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0,
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[
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[
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[
0,
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[
0,
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[
0,
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[
0,
0,
0
],
[
0,
0,
-0.00474212
],
[
0,
0,
0.00474212
]
] | -0.000042 | 7.180653 | pbe | true | 24b9df37a0e412e12428123034cc2ec0_166_Li1Pm4Mg1Zn2 |
[
"Li",
"Mg",
"Ru",
"Sn"
] | 4 | ABCD | LiMgRuSn | Li1 Mg1 Sn1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.53332275,
0,
0
],
[
2.26666137,
3.92597266,
0
],
[
2.26666137,
1.30865755,
3.70144252
]
] | agm002158098 | [
[
2.2666613724999998,
1.3086575525,
0.92536063
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[
4.5333227449999995,
2.617315105,
1.85072126
],
[
0,
0,
0
],
[
6.7999841175,
3.9259726575,
2.77608189
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Mg",
"Sn",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.0995307,
0,
0
],
[
0,
4.0995307,
0
],
[
0,
0,
4.0995307
]
] | -17.854584 | [
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0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.116993 | pbe | true | a92526384733e553eae7b33527fd0e93_216_Li1Mg1Sn1Ru1 |
[
"Li",
"Mn",
"O",
"Si"
] | 8 | A4B2CD | LiMn2O4Si | Li1 Mn2 Si1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
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0
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[
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] | agm004872093 | [
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[
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4.66184917391... | [{"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": "Li", "attached": ... | [
"Li",
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[
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0.017,
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0.00135... | 10.044787 | 1.66211 | pbe | true | 5f0fd99325bd406dc66fe9539ed3da52_121_Li1Mn2Si1O4 |
[
"Li",
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"Sn"
] | 5 | A2BCD | LiMn2PbSn | Li1 Mn2 Sn1 Pb1 | 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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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached"... | [
"Pb",
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] | -23.95952 | [
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] | 7.761612 | 2.638134 | pbe | true | 314fea3fe64b26f7c15d560f0a02b0c4_123_Li1Mn2Sn1Pb1 |
[
"Li",
"Mn",
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] | 4 | ABCD | LiMnRuTm | Li1 Tm1 Mn1 Ru1 | 4 | [
1,
1,
1
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[
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0,
0
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[
2.28845566,
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] | agm001311701 | [
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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": "Ru", "attached"... | [
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] | 4.228067 | 2.49347 | pbe | true | 914af7ff7042dd810bb1787db443d28c_216_Li1Tm1Mn1Ru1 |
[
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"S",
"Tl"
] | 12 | A3BCD | LiMoS3Tl | Li1 Mo1 S3 Tl1 | 4 | [
1,
1,
1
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[
1.842418901,
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0
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[
1.842418901,
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[
0,
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] | oqmd-9041378 | [
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[
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-0.7... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "S", "attached":... | [
"Li",
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] | 2024-11-01 00:00:00 | [
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0.16666666666666666
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[
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[
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-0.0... | 3.78721 | null | pbe | true | ea56a9f992add7bed6f4de57fb2493cf_63_Li2Tl2Mo2S6 |
[
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"Sc"
] | 5 | A2BCD | Li2NNiSc | Li2 Sc1 Ni1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.03753712,
0,
0
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[
0,
3.73973742,
0
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[
0,
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] | agm001544152 | [
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"Sc",
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] | 0 | 1.713899 | pbe | true | 934b39af7cada9fca8ea90107b31f46a_123_Li2Sc1Ni1N1 |
[
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1,
1,
1
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[
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0,
0
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[
0,
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[
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... | 4.000053 | 11.961513 | pbe | true | bfc60ba47492dac37e23e92e7795b247_166_Li4Np3Sc1N8 |
[
"Li",
"N",
"Pa",
"Sm"
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1,
1,
1
] | 3 | [
[
3.56334629,
0,
0
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[
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[
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... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached"... | [
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-0.0... | 1.937506 | 1.501026 | pbe | true | 64f2490241672c9de292bb3847a40a1d_36_Li2Sm2Pa4N10 |
[
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1,
1,
1
] | 3 | [
[
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[
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[
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[
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": ... | [
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[
-0.0018... | 5.999999 | 13.784337 | pbe | true | d3da444a4d390f5fa137d17a7cde0ded_12_Na3Li1Np2S6 |
[
"Li",
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"Pr",
"Tl"
] | 7 | A2B2C2D | Li2NdPr2Tl2 | Li2 Pr2 Nd1 Tl2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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0
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[
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] | agm004552824 | [
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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": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
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[
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] | -24.352768 | [
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[
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[
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] | 0.0002 | 6.191215 | pbe | true | ac9b23dfba5a3115867d95096fc23bc0_166_Li2Pr2Nd1Tl2 |
[
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"O",
"P"
] | 72 | A12B4CD | LiNiO12P4 | Li4 Ni4 P16 O48 | 4 | [
1,
1,
1
] | 3 | [
[
9.12841316,
0,
0
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[
0,
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0
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[
0,
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] | agm003282492 | [
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] | 2023-11-16 06:57:59 | [
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0.25,
0.25,
0.25
] | [
[
1.7463905,
0,
0
],
[
0,
1.7463905,
0
],
[
0,
0,
1.7463905
]
] | -19.711191 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000091 | 3.678195 | pbe | true | ca3f8628be824646d101b2dd43bbc76f_216_Li1Tb1Pm1Pt1 |
[
"Li",
"S",
"Sc",
"Te"
] | 14 | A4BCD | LiS4ScTe | Li2 Sc2 Te2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.51989634,
0,
0
],
[
3.75994817,
6.70032597,
0.10812569
],
[
3.75994817,
2.14421121,
6.34889105
]
] | agm005062941 | [
[
7.51989634,
4.303986265455547,
0.7504082572653353
],
[
7.51989634,
4.540550914544452,
5.706608482734665
],
[
5.639922255,
1.072105605,
3.174445525
],
[
1.879974085,
1.072105605,
3.174445525
],
[
0,
0,
0
],
[
3.75994817,
4.4222... | [{"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": "Te", "attached": ... | [
"Li",
"Li",
"Sc",
"Sc",
"Te",
"Te",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
] | [
[
0.23551635,
0,
0
],
[
0,
0.27495077,
0.19684687
],
[
0,
0.19684687,
0.14902805
]
] | -69.462775 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00155899,
-0.00113815
],
[
0,
0.00155899,
0.00113815
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00197778,
-0.00019677
],
[
0,
0.00078994,
0.00182382
],
[
0,... | 0 | -0.012347 | pbe | true | c1cf0ef07572aa1f258bbc278bf09e61_74_Li2Sc2Te2S8 |
[
"Li",
"S",
"Si",
"Tb"
] | 15 | A8B3C3D | Li3S8SiTb3 | Li3 Tb3 Si1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.72070206,
0,
0
],
[
-3.86035103,
6.68539531,
-0.02410444
],
[
0,
-4.43857376,
6.12413749
]
] | agm004685125 | [
[
0,
0,
0
],
[
-1.930175515,
3.342697655,
-0.01205222
],
[
1.930175515,
3.342697655,
-0.01205222
],
[
3.86035103,
-2.21928688,
3.062068745
],
[
1.930175515,
1.123410775,
3.0500165249999998
],
[
-1.930175515,
1.123410775,
3.0... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": ... | [
"Li",
"Li",
"Li",
"Tb",
"Tb",
"Tb",
"Si",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.5333333333333333,
0.06666666666666667,
0.2
] | [
[
-0.4081592,
-0.00194371,
-0.00277508
],
[
-0.00194367,
-0.33236146,
0.08826283
],
[
-0.00277515,
0.08826284,
-0.2008367
]
] | -80.945723 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00004983,
-0.00015377,
-0.00261399
],
[
0.00004983,
0.00015377,
0.00261399
],
... | -0.000003 | -0.123351 | pbe | true | 42311254a752e9775c5be3f39fd0f15c_166_Li3Tb3Si1S8 |
[
"Lu",
"Mg",
"Re",
"Tm"
] | 4 | ABCD | LuMgReTm | Tm1 Lu1 Mg1 Re1 | 4 | [
1,
1,
1
] | 3 | [
[
4.93971682,
0,
0
],
[
2.46985841,
4.27792025,
0
],
[
2.46985841,
1.42597342,
4.03326189
]
] | agm001399409 | [
[
0,
0,
0
],
[
4.93971682,
2.851946835,
2.016630945
],
[
7.409575230000001,
4.2779202524999995,
3.0249464175000003
],
[
2.46985841,
1.4259734175,
1.0083154725
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached"... | [
"Re",
"Mg",
"Lu",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.016603,
0,
0
],
[
0,
2.016603,
0
],
[
0,
0,
2.016603
]
] | -22.870239 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000022 | 2.834265 | pbe | true | 94820c7852050249a795a11dc3f59707_216_Tm1Lu1Mg1Re1 |
[
"Lu",
"Nd",
"Tc",
"Zn"
] | 4 | ABCD | LuNdTcZn | Nd1 Lu1 Zn1 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
4.95840157,
0,
0
],
[
2.47920078,
4.29410172,
0
],
[
2.47920078,
1.43136724,
4.04851792
]
] | agm001371476 | [
[
0,
0,
0
],
[
7.437602347500001,
4.29410172,
3.03638844
],
[
2.4792007825000004,
1.43136724,
1.01212948
],
[
4.958401565000001,
2.86273448,
2.02425896
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Lu",
"Nd",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.622809,
0,
0
],
[
0,
1.622809,
0
],
[
0,
0,
1.622809
]
] | -21.290314 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000221 | 2.196345 | pbe | true | abf1056a1930394677a31f489264f571_216_Nd1Lu1Zn1Tc1 |
[
"Lu",
"Ni",
"Pt",
"Y"
] | 4 | ABCD | LuNiPtY | Y1 Lu1 Ni1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.83091441,
0,
0
],
[
2.41545721,
4.1836946,
0
],
[
2.41545721,
1.39456487,
3.9444251
]
] | agm001296177 | [
[
4.830914415,
2.789129735,
1.97221255
],
[
2.4154572075,
1.3945648675,
0.986106275
],
[
0,
0,
0
],
[
7.2463716225,
4.1836946025,
2.958318825
]
] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Lu", "attached"... | [
"Y",
"Ni",
"Lu",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.0930395,
0,
0
],
[
0,
-2.0930395,
0
],
[
0,
0,
-2.0930395
]
] | -26.184435 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000047 | 3.074874 | pbe | true | 8071e233a8a304c73fb6364ec81c09c1_216_Y1Lu1Ni1Pt1 |
[
"Lu",
"Ni",
"Rh",
"Ti"
] | 4 | ABCD | LuNiRhTi | Lu1 Ti1 Ni1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.53356976,
0,
0
],
[
2.26678488,
3.92618658,
0
],
[
2.26678488,
1.30872886,
3.70164421
]
] | agm001292593 | [
[
0,
0,
0
],
[
6.800354639999999,
3.92618658,
2.7762331575
],
[
4.53356976,
2.61745772,
1.850822105
],
[
2.26678488,
1.30872886,
0.9254110525
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ni",
"Lu",
"Rh",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.039062,
0,
0
],
[
0,
-2.039062,
0
],
[
0,
0,
-2.039062
]
] | -27.741292 | [
0,
0,
0,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001422 | 5.786407 | pbe | true | 9295553768a38c63e2c0404880591957_216_Lu1Ti1Ni1Rh1 |
[
"Lu",
"Np",
"Os",
"Ru"
] | 4 | ABCD | LuNpOsRu | Lu1 Np1 Ru1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.74569052,
0,
0
],
[
2.37284526,
4.10988855,
0
],
[
2.37284526,
1.36996285,
3.87484008
]
] | agm001314618 | [
[
4.74569052,
2.7399257,
1.93742004
],
[
7.11853578,
4.10988855,
2.9061300599999997
],
[
0,
0,
0
],
[
2.37284526,
1.36996285,
0.96871002
]
] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Ru",
"Lu",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.168603,
0,
0
],
[
0,
6.168603,
0
],
[
0,
0,
6.168603
]
] | -38.707722 | [
-3.199,
0.299,
-0.042,
0.289
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -2.792856 | 4.903396 | pbe | true | fca78087b796532e4455094454353e42_216_Lu1Np1Ru1Os1 |
[
"Lu",
"Pa",
"Pt",
"Re"
] | 4 | ABCD | LuPaPtRe | Lu1 Pa1 Re1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.87605674,
0,
0
],
[
2.43802837,
4.22278901,
0
],
[
2.43802837,
1.40759634,
3.98128365
]
] | agm001303773 | [
[
0,
0,
0
],
[
2.43802837,
1.4075963374999998,
0.9953209125
],
[
7.314085110000001,
4.2227890125,
2.9859627375
],
[
4.87605674,
2.8151926749999996,
1.990641825
]
] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached"... | [
"Re",
"Pa",
"Lu",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.465733,
0,
0
],
[
0,
4.465733,
0
],
[
0,
0,
4.465733
]
] | -34.360945 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000266 | 3.821482 | pbe | true | b0cca6e7d173acfd9a7308360287e380_216_Lu1Pa1Re1Pt1 |
[
"Mg",
"N",
"P",
"Pu"
] | 20 | A6B2CD | MgN6P2Pu | Pu2 Mg2 P4 N12 | 4 | [
1,
1,
1
] | 3 | [
[
5.14959674,
-0.13337554,
-0.1384137
],
[
1.48069058,
6.56385237,
0.22653427
],
[
1.48069058,
-0.0168862,
6.56773862
]
] | agm004980655 | [
[
2.768089765,
1.878733377788225,
4.674384635148516
],
[
5.342888135,
4.534857252211775,
1.981474554851484
],
[
2.7680897650000005,
5.967787489850344,
0.7341691947418486
],
[
5.342888135,
0.4458031401496567,
5.921689995258152
],
[
3.309246435964054... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Pu",
"Pu",
"Mg",
"Mg",
"P",
"P",
"P",
"P",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
0.69019085,
0.0511327,
0.0530642
],
[
0.05113275,
0.8006404,
0.00471579
],
[
0.05306425,
0.00471579,
0.8009902
]
] | -165.299787 | [
2.754,
2.754,
-0.003,
-0.003,
0.003,
0.003,
0.003,
0.003,
-0.09,
-0.09,
-0.09,
-0.09,
-0.139,
-0.139,
-0.139,
-0.139,
-0.067,
-0.067,
-0.067,
-0.067
] | [
[
0,
0.00100435,
-0.00096779
],
[
0,
-0.00100435,
0.00096779
],
[
0,
0.00259585,
-0.00250136
],
[
0,
-0.00259585,
0.00250136
],
[
0.00244069,
0.0021611,
-0.00383681
],
[
-0.00244069,
0.00391427,
-0.00201741
],
[
-0.0... | 3.996998 | 7.984497 | pbe | true | e0c5c393db9c1ec7780cc2ea0fced7f9_15_Pu2Mg2P4N12 |
[
"Mg",
"Na",
"Pd",
"Ta"
] | 4 | ABCD | MgNaPdTa | Mg1 Na1 Pd1 Ta1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.266166,
3.266166
],
[
3.266166,
0,
3.266166
],
[
3.266166,
3.266166,
0
]
] | oqmd-3148023 | [
[
3.266169999999999,
3.266169999999999,
3.266169999999999
],
[
4.89925,
4.89925,
4.89925
],
[
1.6330800000000012,
1.6330800000000012,
1.6330800000000012
],
[
0,
0,
0
]
] | [{"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": "Pd", "attached"... | [
"Mg",
"Na",
"Pd",
"Ta"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
[
12.87602,
0,
0
],
[
0,
12.87602,
0
],
[
0,
0,
12.87602
]
] | -18.7185 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000242 | null | pbe | true | c6237f2f9a6051a223e1c13f8f972e63_216_Na1Mg1Ta1Pd1 |
[
"Mo",
"O",
"Se",
"Zn"
] | 22 | A7B2CD | MoO7SeZn2 | Zn4 Mo2 Se2 O14 | 4 | [
1,
1,
1
] | 3 | [
[
8.6184502,
0,
0
],
[
0,
5.20582192,
0.05514827
],
[
0,
1.1383927,
7.3266613
]
] | agm003229103 | [
[
3.974050900002438,
5.453544620576246,
3.9111803948313044
],
[
8.283276000002438,
0.8906699994237535,
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[
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0.00258222... | 0.000773 | 16.63077 | pbe | true | 5b231e9acaf21128e429d8824a4b1641_12_Tb6Nd3Tm2Mg1 |
[
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1,
1,
1
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[
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3.397069609... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached": ... | [
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0.0027... | 0 | 0 | pbe | true | a4c9131bc6862aec72993ec7f2812309_148_Sm2Mg1Ni1O6 |
[
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1,
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1
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... | 2.976686 | 9.408065 | pbe | true | 23a8e703e86276f4ab5b91dfcb39651a_74_Mg2V2Ni2S8 |
[
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1,
1,
1
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0,
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] | 0.767765 | 4.360203 | pbe | true | 68caef8788a13934356c72cc4b84b413_123_Rb1Mg1P2O1 |
[
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1,
1,
1
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0
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1.4074199999999... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": ... | [
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[
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
13.041861,
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[
0,
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] | oqmd-3451684 | [
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[
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[
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[
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1,
1,
1
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[
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[
0.28336446281... | [{"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": "Pm", "attached": ... | [
"Pm",
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.0... | 0 | 2.577889 | pbe | true | 313a7dd0a9a8831750daf7bd42dc1c12_119_Pm1Mg1Te2O8 |
[
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1,
1,
1
] | 3 | [
[
5.409711,
0,
0
],
[
0,
7.06365,
0
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[
0,
0,
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] | oqmd-3479322 | [
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1.3538200000000025,
6.417099999999997,
3.3207200000000032
],
[
4.058670000000001,
4.178390000000003,
4.068039999999999
],
[
1.351040000000001,
0.6465599999999997,
7.01511
],
[
2.197860... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": ... | [
"Mg",
"Mg",
"Mg",
"Mg",
"O",
"O",
"O",
"O",
"Pt",
"Pt",
"Pt",
"Pt",
"Te",
"Te",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
[
11.78185,
0,
0
],
[
0,
15.24754,
0
],
[
0,
0,
14.09583
]
] | -78.2477 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.006302,
0.022816,
-0.011321
],
[
-0.006302,
0.022816,
0.011321
],
[
-0.006302,
-0.022816,
-0.011321
],
[
0.006302,
-0.022816,
0.011321
],
[
0.017061,
-0.004716,
-0.0113
],
[
-0.017061,
-0.004716,
0.0113
],
[
-0.0... | 0.006071 | null | pbe | true | a439ccb85cc090bdcf3ac170f9e05026_19_Mg4Te4Pt4O4 |
[
"Mg",
"O",
"Ti",
"V"
] | 10 | A6B2CD | Mg2O6TiV | Mg2 Ti1 V1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
4.67606382,
0,
0
],
[
0,
5.28956055,
0
],
[
0,
0,
5.28956055
]
] | agm004947559 | [
[
4.261430414027423,
2.644780275,
0
],
[
4.261430414027423,
0,
2.644780275
],
[
2.821366092376656,
2.644780275,
2.644780275
],
[
2.781304476726464,
0,
0
],
[
3.4543421727805286,
1.3153315892152635,
1.3153315892152635
],
[
3.45434217... | [{"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": "Ti", "attached": ... | [
"Mg",
"Mg",
"Ti",
"V",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
0.9160559,
0,
0
],
[
0,
0.9475134,
0
],
[
0,
0,
0.9475134
]
] | -72.703166 | [
0.003,
0.003,
0.003,
1.042,
-0.002,
-0.002,
-0.002,
-0.084,
-0.002,
-0.002
] | [
[
-0.00677059,
0,
0
],
[
-0.00677059,
0,
0
],
[
0.00105249,
0,
0
],
[
0.0028207,
0,
0
],
[
0.00015117,
0.0014738,
0.0014738
],
[
0.00015117,
0.0014738,
-0.0014738
],
[
0.00454978,
0,
0
],
[
0.00451351... | 1.000003 | 0 | pbe | true | d8c506d22b570eb86e44e9f65a4c1d5c_99_Mg2Ti1V1O6 |
[
"Mg",
"O",
"Ti",
"Zr"
] | 5 | A2BCD | MgOTi2Zr | Mg1 Zr1 Ti2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.16831258,
0,
0
],
[
0,
4.16831258,
0
],
[
0,
0,
4.60419061
]
] | agm001647347 | [
[
2.08415629,
2.08415629,
2.302095305
],
[
0,
0,
0
],
[
0,
0,
2.302095305
],
[
0,
2.08415629,
0
],
[
2.08415629,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Mg",
"O",
"Zr",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.431561,
0,
0
],
[
0,
0.431561,
0
],
[
0,
0,
0.6159895
]
] | -35.904113 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000022 | 3.928092 | pbe | true | dab433e700f7a577f190cc2f27d2bb9a_123_Mg1Zr1Ti2O1 |
[
"Mg",
"Os",
"Sc",
"Sn"
] | 4 | ABCD | MgOsScSn | Mg1 Sc1 Sn1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.67864863,
0,
0
],
[
2.33932431,
4.05182857,
0
],
[
2.33932431,
1.35060952,
3.82010061
]
] | agm001915299 | [
[
2.3393243125,
1.3506095224999999,
0.9550251525
],
[
0,
0,
0
],
[
4.678648625,
2.7012190449999998,
1.910050305
],
[
7.0179729375,
4.051828567499999,
2.8650754574999997
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Mg",
"Os",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.237472,
0,
0
],
[
0,
5.237472,
0
],
[
0,
0,
5.237472
]
] | -23.843122 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000007 | 4.70067 | pbe | true | f18530d8557201782c7e5e9a52a5f920_216_Mg1Sc1Sn1Os1 |
[
"Mg",
"Pu",
"Sm",
"Th"
] | 4 | ABCD | MgPuSmTh | Sm1 Pu1 Th1 Mg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.50065405,
0,
0
],
[
2.75032702,
4.76370614,
0
],
[
2.75032702,
1.58790205,
4.49126522
]
] | agm001401554 | [
[
2.7503270225,
1.5879020475,
1.122816305
],
[
0,
0,
0
],
[
8.2509810675,
4.7637061425,
3.368448915
],
[
5.500654045,
3.175804095,
2.24563261
]
] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached"... | [
"Mg",
"Sm",
"Th",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.4526117,
0,
0
],
[
0,
1.4526117,
0
],
[
0,
0,
1.4526117
]
] | -27.111067 | [
-0.008,
0.086,
0.401,
5.51
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.655902 | 10.952997 | pbe | true | bd8878db4bd14c73370a5993ebb5869c_216_Sm1Pu1Th1Mg1 |