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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ge",
"Ho",
"O"
] | 5 | A3BC | GeHoO3 | Ge1 Ho1 O3 | 3 | [
1,
1,
1
] | 3 | [
[
3.89948674,
0,
0
],
[
0,
3.89948674,
0
],
[
0,
0,
3.89948674
]
] | mp-982558 | [
[
0,
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0
],
[
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[
1.94974337,
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0
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[
1.94974337,
0,
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[
0,
1.94974337,
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "O", "attached":... | [
"Ho",
"Ge",
"O",
"O",
"O"
] | 2023-02-18 03:30:47 | [
0.2,
0.2,
0.6
] | [
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0
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[
0,
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0
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[
0,
0,
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] | -33.779215 | [
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[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 7.564126 | pbe | true | dfcac84dadf8e6c1f22831dcc123d960_221_Ho1Ge1O3 |
[
"Ge",
"Ho",
"Pd"
] | 10 | A7B2C | Ge2HoPd7 | Ho1 Ge2 Pd7 | 3 | [
1,
1,
1
] | 3 | [
[
4.01736867,
0,
-0.77301287
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[
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[
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]
] | agm005868896 | [
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[
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... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ho",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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] | -56.709815 | [
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] | [
[
0,
0,
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[
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[
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[
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],
[
-0.00038776,
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-0.00201521
],
[
0,
0,
... | 0 | 4.056116 | pbe | true | 05d8a2412b1ff63bf4131ed709c39df3_139_Ho1Ge2Pd7 |
[
"Ir",
"Li",
"Os",
"P"
] | 5 | A2BCD | IrLiOsP2 | Li1 P2 Ir1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
4.04271473,
0,
0
],
[
0,
4.04271473,
0
],
[
-2.02135737,
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4.62233119
]
] | agm005022226 | [
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0,
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0
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[
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[
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[
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2.0213573675000003,
2.311165595
],
[
2.0213573625,
2.4999999848063226e-... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached"... | [
"Li",
"P",
"P",
"Ir",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0
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[
0,
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[
0,
0,
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] | -35.373316 | [
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[
0,
0,
0.00893421
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 1.51939 | pbe | true | b85014d34adb0f00058b1abfeb498d48_119_Li1P2Ir1Os1 |
[
"F",
"Hg",
"Sr"
] | 4 | A2BC | FHgSr2 | Sr2 Hg1 F1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.89808229,
3.89808229
],
[
3.89808229,
0,
3.89808229
],
[
3.89808229,
3.89808229,
0
]
] | agm002669903 | [
[
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[
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5.847123435
],
[
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3.89808229
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[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Sr",
"Hg",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.912822,
0,
0
],
[
0,
1.912822,
0
],
[
0,
0,
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]
] | -10.174209 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000055 | 5.122237 | pbe | true | 0f8d2733d4aea9d18dbd1a32074a6c6d_225_Sr2Hg1F1 |
[
"Nb",
"Pu",
"Zn"
] | 3 | ABC | NbPuZn | Nb1 Pu1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.224924,
3.224924
],
[
3.224924,
0,
3.224924
],
[
3.224924,
3.224924,
0
]
] | oqmd-4362217 | [
[
1.612459999999999,
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1.612459999999999
],
[
4.837390000000003,
4.837390000000003,
4.837390000000003
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zn", "attached"... | [
"Nb",
"Pu",
"Zn"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
],
[
0,
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],
[
0,
0,
22.67391
]
] | -23.651 | [
0.199,
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] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.62527 | null | pbe | true | e34c2a6a03356205f168dba077feae8a_216_Pu1Nb1Zn1 |
[
"Ir",
"Li",
"Si",
"Y"
] | 5 | A2BCD | IrLiSi2Y | Li1 Y1 Si2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.04691719,
0,
0
],
[
0,
4.04691719,
0
],
[
-2.0234586,
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5.05642793
]
] | agm005018438 | [
[
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[
0,
0,
0
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[
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],
[
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3.859032979958734
],
[
2.0234585925,
2.4999999848063226e-... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached"... | [
"Li",
"Y",
"Si",
"Si",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.195514,
0,
0
],
[
0,
1.195514,
0
],
[
0,
0,
0.82373047
]
] | -32.025985 | [
0,
0,
0,
0,
0
] | [
[
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[
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[
0,
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],
[
0,
0,
-0.00484632
],
[
0,
0,
0
]
] | 0.000014 | 3.158521 | pbe | true | e97d1c2236bbbc23af7e3c1a51289be4_119_Li1Y1Si2Ir1 |
[
"Ir",
"Mg",
"Mo",
"O"
] | 17 | A12B2C2D | Ir2MgMo2O12 | Ir2 Mg1 Mo2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.15932471,
0.00426908,
-0.04185689
],
[
0.00458925,
5.36177085,
0.00120662
],
[
0.01049541,
0.00145779,
7.51049929
]
] | mp-2229029 | [
[
0.1491538364177335,
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],
[
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2.6826226315975523,
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],
[... | [{"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": "Mo", "attached"... | [
"Mg",
"Mo",
"Mo",
"Ir",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2022-04-30 20:47:55 | [
0.11764705882352941,
0.058823529411764705,
0.11764705882352941,
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] | [
[
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[
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] | -113.88265 | [
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0.067,
0.034,
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0.057,
0.007,
0.036,
0.091,
0.107
] | [
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[
-0.00016151,
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[
0.00433101,
0.012668... | 1.083 | 3.041277 | pbe | true | 20aae10e79609c9c77ea2e236eb45c66_1_Mg1Mo2Ir2O12 |
[
"Ni",
"Rh",
"Si"
] | 3 | ABC | NiRhSi | Si1 Ni1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.93048673,
0,
0
],
[
-1.96524337,
3.40390136,
0
],
[
0,
0,
2.78185069
]
] | agm002022621 | [
[
1.965243382985767,
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[
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2.269267584679671,
2.6086561989909764
],
[
0,
0,
1.1824680590075225
]
] | [{"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": "Si", "attached"... | [
"Ni",
"Si",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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0
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[
0,
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[
0,
0,
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]
] | -20.065661 | [
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.00352259
],
[
0,
0,
-0.0015964
]
] | 0.000005 | 1.955121 | pbe | true | f53873e0870b97a1acd46d90313bc135_156_Si1Ni1Rh1 |
[
"Ir",
"Mn",
"Np",
"Si"
] | 5 | A2BCD | IrMnNpSi2 | Np1 Mn1 Si2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
3.93984987,
0,
0
],
[
0,
3.93984987,
0
],
[
-1.96992494,
-1.96992494,
5.2187445
]
] | agm005019021 | [
[
0,
0,
0
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[
1.9699249325000001,
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2.60937225
],
[
1.9699249141492614,
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],
[
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1.585073896917107e-8,
4.016878653200894
],
[
-2.4999999848063226e-9,
1.9699249325000... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Mn",
"Si",
"Si",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.6119525,
0,
0
],
[
0,
2.6119525,
0
],
[
0,
0,
1.1379876
]
] | -44.517706 | [
3.643,
2.458,
-0.051,
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0.023
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.01613397
],
[
0,
0,
-0.01613397
],
[
0,
0,
0
]
] | 6.444775 | 10.424282 | pbe | true | 4929db6f5b432854b541a52032ee226d_119_Np1Mn1Si2Ir1 |
[
"Ba",
"Pt",
"Rb"
] | 5 | A3BC | Ba3PtRb | Rb1 Ba3 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
6.45661496,
0,
0
],
[
0,
6.45661496,
0
],
[
0,
0,
6.45661496
]
] | agm002575795 | [
[
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],
[
0,
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],
[
0,
0,
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],
[
3.22830748,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Rb",
"Ba",
"Ba",
"Ba",
"Pt"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
0.7231844,
0
],
[
0,
0,
0.7231844
]
] | -14.512018 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.84888 | pbe | true | 16cfacb69e17dc12feb215656bc76bc5_221_Rb1Ba3Pt1 |
[
"Ba",
"Pt",
"Sb"
] | 4 | A2BC | BaPt2Sb | Ba1 Sb1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
5.89336714,
0.00020931,
0
],
[
2.65650333,
5.26068117,
0
],
[
-4.27493426,
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]
] | agm004229335 | [
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[
0,
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0
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[
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],
[
4.274935235,
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0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Ba",
"Pt",
"Pt",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.1375823,
0.19776326,
5.7e-7
],
[
0.19776326,
1.9378697,
3.5e-7
],
[
5.7e-7,
3.5e-7,
1.8161845
]
] | -18.69035 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.194558 | pbe | true | 6567b8e653f100f432136b1292442909_119_Ba1Sb1Pt2 |
[
"Ir",
"Mn",
"Si",
"Th"
] | 5 | A2BCD | IrMnSi2Th | Th1 Mn1 Si2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.13183009,
0,
0
],
[
0,
4.13183009,
0
],
[
-2.06591504,
-2.06591504,
4.94671162
]
] | agm005019020 | [
[
0,
0,
0
],
[
2.0659150475,
2.4999999848063226e-9,
2.47335581
],
[
2.0659150669454087,
2.0659150669454087,
1.2725498252534053
],
[
-1.6945408603641714e-8,
-1.6945408603641714e-8,
3.6741617947465945
],
[
2.4999999848063226e-9,
2.0659150475,
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ir", "attached"... | [
"Th",
"Mn",
"Si",
"Si",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.7628826,
0,
0
],
[
0,
1.7628826,
0
],
[
0,
0,
1.6954112
]
] | -40.500519 | [
0.018,
0.785,
-0.02,
-0.02,
-0.019
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00344465
],
[
0,
0,
-0.00344465
],
[
0,
0,
0
]
] | 0.814154 | 4.899687 | pbe | true | 3f64e4320b53b244c185c3edb5be45bb_119_Th1Mn1Si2Ir1 |
[
"P",
"Sb",
"Sc"
] | 3 | ABC | PSbSc | Sc1 Sb1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
-1.79426338,
1.79426338,
5.1758207
],
[
1.79426338,
-1.79426338,
5.1758207
],
[
1.79426338,
1.79426338,
-5.1758207
]
] | agm004315011 | [
[
-1.788219572896423e-17,
1.788219572896423e-17,
6.452669994619328
],
[
7.195388192508291e-18,
-7.195388192508291e-18,
3.2652940208170484
],
[
-2.1614536685003573e-18,
2.1614536685003573e-18,
0.633677384563624
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached":... | [
"Sc",
"Sb",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.1532017,
0,
0
],
[
0,
1.1532017,
0
],
[
0,
0,
1.410083
]
] | -17.951461 | [
0,
0,
0
] | [
[
0,
0,
0.00122994
],
[
0,
0,
-0.00493141
],
[
0,
0,
0.00370147
]
] | -0 | 1.072615 | pbe | true | f3cccad9c41347c5ce2c394187f69e03_107_Sc1Sb1P1 |
[
"Ir",
"Mo",
"Si",
"U"
] | 5 | A2BCD | IrMoSi2U | U1 Si2 Mo1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.19997301,
0,
0
],
[
0,
4.19997301,
0
],
[
-2.0999865,
-2.0999865,
4.86556299
]
] | agm005018982 | [
[
0,
0,
0
],
[
2.099986506218441,
2.099986506218441,
1.1856803843309778
],
[
3.781558912057386e-9,
3.781558912057386e-9,
3.679882605669022
],
[
2.0999865074999997,
2.4999999848063226e-9,
2.432781495
],
[
2.4999999848063226e-9,
2.099986507499999... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ir", "attached": ... | [
"U",
"Si",
"Si",
"Mo",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
4.695389,
0,
0
],
[
0,
4.695389,
0
],
[
0,
0,
4.383464
]
] | -44.37985 | [
1.956,
-0.013,
-0.013,
-0.131,
-0.1
] | [
[
0,
0,
0
],
[
0,
0,
0.00844904
],
[
0,
0,
-0.00844904
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.914539 | 5.19299 | pbe | true | 5da68d07fca679cc01a3e220bf4425dd_119_U1Si2Mo1Ir1 |
[
"Ba",
"Rb",
"Tl"
] | 4 | A2BC | BaRbTl2 | Rb1 Ba1 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.34238048,
0,
0
],
[
0,
4.34238048,
0
],
[
0,
0,
9.03171677
]
] | agm001138416 | [
[
0,
0,
7.061869808749162
],
[
0,
0,
1.9698469612508376
],
[
2.17119024,
2.17119024,
0
],
[
2.17119024,
2.17119024,
4.515858385
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached"... | [
"Tl",
"Tl",
"Ba",
"Rb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.7877834,
0,
0
],
[
0,
1.7877834,
0
],
[
0,
0,
1.5886884
]
] | -8.360056 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00147781
],
[
0,
0,
0.00147781
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.853921 | pbe | true | 8ef2fc89c8be7e83f9f354cf6c85fcc7_123_Rb1Ba1Tl2 |
[
"Ba",
"Rh",
"Tc"
] | 3 | ABC | BaRhTc | Ba1 Tc1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
6.45597944,
-0.00857219,
0.00896436
],
[
5.50970858,
3.29400295,
-0.00082963
],
[
0.94627087,
0.13785079,
3.2997104
]
] | agm004048703 | [
[
11.947612870048856,
3.2802677845752086,
0.013533901571500999
],
[
4.076063250300523,
1.0318428834468434,
2.3648198961816025
],
[
8.85397078965062,
2.3966016419779477,
0.9376260622468964
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ba",
"Rh",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.013354,
-0.20838493,
0.21791816
],
[
-0.20838493,
4.692499,
0.07097506
],
[
0.21791816,
0.07097506,
4.6861444
]
] | -18.169307 | [
0,
0,
0
] | [
[
0.0033915,
0.00096875,
-0.00101306
],
[
0.00231049,
0.00065997,
-0.00069016
],
[
-0.00570199,
-0.00162871,
0.00170322
]
] | -0.000292 | 3.046912 | pbe | true | 6e4406260164260f48ff36ffe2423cb6_42_Ba1Tc1Rh1 |
[
"F",
"Tl",
"Zn"
] | 10 | A3BC | F3TlZn | Tl2 Zn2 F6 | 3 | [
1,
1,
1
] | 3 | [
[
3.30761772,
0,
5.76886399
],
[
-1.65380886,
2.86448097,
5.76886399
],
[
-1.65380886,
-2.86448097,
5.76886399
]
] | agm003063744 | [
[
5.170640738471377e-17,
1.1448987801749407e-17,
6.513130804794655
],
[
4.0098426350340334e-17,
-7.448295640205061e-17,
10.793461165205343
],
[
-1.4171376651802348e-17,
6.2478933676573e-18,
2.8051579967086173
],
[
-9.68509258107133e-17,
-6.175904459891513e-17,... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "F", "attached":... | [
"Tl",
"Tl",
"Zn",
"Zn",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.5359051,
3e-7,
0
],
[
-3e-7,
1.5359051,
0
],
[
0,
0,
2.9345388
]
] | -39.278094 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00953447
],
[
0,
0,
0.00953447
],
[
0,
0,
-0.00205105
],
[
0,
0,
0.00205105
],
[
-0.00255851,
0.00126755,
0.0053161
],
[
0.00237698,
0.00158196,
0.0053161
],
[
-0.00018153,
0.00284951,
-0.0053161
... | 0 | 0 | pbe | true | 07bc0e539e47592920b609c9968cdbd0_166_Tl2Zn2F6 |
[
"Pa",
"Sm",
"Tc"
] | 4 | A2BC | Pa2SmTc | Sm1 Pa2 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
3.38794312,
0,
0
],
[
0,
5.21936808,
0
],
[
0,
0,
5.21936808
]
] | agm001245623 | [
[
0,
0,
2.60968404
],
[
0,
2.60968404,
0
],
[
1.69397156,
2.60968404,
2.60968404
],
[
1.69397156,
0,
0
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sm", "attached"... | [
"Pa",
"Pa",
"Tc",
"Sm"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.5146549,
0,
0
],
[
0,
2.3602698,
0
],
[
0,
0,
2.3602698
]
] | -32.709791 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00009 | 6.609743 | pbe | true | d33876bb6d5a8106534c5e6e727b739c_123_Sm1Pa2Tc1 |
[
"Ba",
"Rh",
"Zn"
] | 6 | A4BC | BaRhZn4 | Ba1 Zn4 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.83458037,
3.83458037
],
[
3.83458037,
0,
3.83458037
],
[
3.83458037,
3.83458037,
0
]
] | agm005462318 | [
[
5.751870555,
5.751870555,
5.751870555
],
[
2.851835553407409,
4.817325148246787,
4.817325148246787
],
[
4.817325148246787,
4.817325148246787,
2.851835553407409
],
[
4.817325148246787,
2.851835553407409,
4.817325148246787
],
[
2.851835553407409,
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ba",
"Zn",
"Zn",
"Zn",
"Zn",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
4.6294184,
0,
0
],
[
0,
4.6294184,
0
],
[
0,
0,
4.6294184
]
] | -14.684302 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.0014535,
0.0014535,
0.0014535
],
[
0.0014535,
0.0014535,
-0.0014535
],
[
0.0014535,
-0.0014535,
0.0014535
],
[
-0.0014535,
-0.0014535,
-0.0014535
],
[
0,
0,
0
]
] | -0.000001 | 3.443016 | pbe | true | 7fcf3d7989d14ed2bd5cd8a5a5e9e689_216_Ba1Zn4Rh1 |
[
"Fe",
"Ga",
"Sc"
] | 12 | ABC | FeGaSc | Fe1 Ga1 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
6.47817537,
0,
0
],
[
0,
3.804520224,
0
],
[
0,
0,
7.650519368
]
] | oqmd-6227788 | [
[
1.5676399999999997,
0.95113,
1.02792
],
[
4.80673,
0.95113,
2.79734
],
[
1.67145,
2.85339,
4.85318
],
[
4.910539999999999,
2.85339,
6.6226
],
[
5.53623,
0.95113,
0.43731
],
[
2.2971399999999997,
0.95113,
3.38795
],
[
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sc", "attached"... | [
"Fe",
"Fe",
"Fe",
"Fe",
"Ga",
"Ga",
"Ga",
"Ga",
"Sc",
"Sc",
"Sc",
"Sc"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
13.22007944,
0,
0
],
[
0,
11.15998473,
0
],
[
0,
0,
16.05677393
]
] | -74.1456 | [
1.023,
1.057,
1.058,
1.023,
-0.025,
-0.027,
-0.027,
-0.025,
-0.157,
-0.161,
-0.161,
-0.157
] | [
[
-0.05507,
0,
0.04018
],
[
-0.05507,
0,
-0.04018
],
[
0.05507,
0,
0.04018
],
[
0.05507,
0,
-0.04018
],
[
-0.086986,
0,
0.075944
],
[
-0.086986,
0,
-0.075944
],
[
0.086986,
0,
0.075944
],
[
0.086986,
... | 3.12831 | null | pbe | true | be7e8c0d9a7859ae4bd83d672caf90c7_62_Sc4Ga4Fe4 |
[
"Ir",
"Nd",
"Ni",
"Zn"
] | 5 | A2BCD | IrNd2NiZn | Ir1 Nd2 Ni1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
-2.144282471,
4.313635489,
2.812239166
],
[
2.144282471,
-4.313635489,
2.812239166
],
[
2.144282471,
4.313635489,
-2.812239166
]
] | oqmd-6457634 | [
[
-9.825408793856838e-17,
-7.816012711012824e-18,
4.32603
],
[
-5.676989599381146e-17,
2.5929,
2.79776
],
[
2.14428,
1.7207400000000004,
-0.01448000000000008
],
[
-3.4059290224751905e-17,
-1.0292140601465163e-16,
1.3617900000000005
],
[
2.14428,
... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ir",
"Nd",
"Nd",
"Ni",
"Zn"
] | 2024-11-01 00:00:00 | [
0.2,
0.4,
0.2,
0.2
] | [
[
5.19422413,
0,
0
],
[
0,
5.21700402,
0
],
[
0,
0,
10.42673789
]
] | -27.8176 | [
0,
0,
0,
0.001,
0
] | [
[
0,
0,
0.071622
],
[
0,
-0.004721,
-0.029145
],
[
0,
0.004721,
-0.029145
],
[
0,
0,
0.011657
],
[
0,
0,
-0.024988
]
] | -0.000271 | null | pbe | true | c6dcb0469348457748b65380f47bd5f2_44_Nd2Zn1Ni1Ir1 |
[
"Cd",
"Cl",
"Se"
] | 4 | A2BC | Cd2ClSe | Cd2 Se1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.47262498,
-0.02080609,
0
],
[
-1.07814933,
3.30108333,
0
],
[
0,
0,
9.14654966
]
] | agm003860331 | [
[
0,
0,
9.146339380823317
],
[
1.197237825,
1.64013862,
2.339782069816981
],
[
0,
0,
3.9792873765474908
],
[
1.197237825,
1.64013862,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached"... | [
"Cd",
"Cd",
"Cl",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
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[
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] | -7.959094 | [
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[
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[
0,
0,
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[
0,
0,
-0.00113667
]
] | 0 | 1.940237 | pbe | true | 3dc53bf230ca0b4db9787f512ac75d2e_35_Cd2Se1Cl1 |
[
"Pm",
"Th",
"Y"
] | 3 | ABC | PmThY | Pm1 Y1 Th1 | 3 | [
1,
1,
1
] | 3 | [
[
3.476103,
0,
0
],
[
0,
5.73265358,
0
],
[
0,
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] | agm001262914 | [
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[
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Th",
"Pm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -18.341943 | [
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[
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[
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0,
0
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] | 0.000226 | 6.925685 | pbe | true | 6208e8bfe92669be8b61fbed19df19c4_187_Pm1Y1Th1 |
[
"Fe",
"Ir",
"Mo"
] | 3 | ABC | FeIrMo | Fe1 Mo1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.84860635,
0.01082894,
0
],
[
2.80204836,
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0
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[
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] | agm003873518 | [
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ir", "attached"... | [
"Fe",
"Ir",
"Mo"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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[
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] | -28.032427 | [
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[
0.00385803,
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[
-0.00294201,
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0
]
] | 2.681207 | 2.978118 | pbe | true | 28f3a6c6eca5bb230198b9ffd1e8f54a_107_Fe1Mo1Ir1 |
[
"Ir",
"Nd",
"Ti",
"Zn"
] | 5 | A2BCD | Ir2NdTiZn | Nd1 Ti1 Zn1 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
4.08219053,
0,
0
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[
0,
4.08219053,
0
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[
-2.04109527,
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] | agm005017532 | [
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[
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4.4... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached"... | [
"Nd",
"Ti",
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"Ir",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
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[
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[
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[
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] | 0.00005 | 2.786032 | pbe | true | e66d2c2fcd879cbf84de7d4ec967cf65_119_Nd1Ti1Zn1Ir2 |
[
"Pr",
"Sc",
"Tm"
] | 16 | A12B3C | Pr3ScTm12 | Pr3 Tm12 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
4.97778341,
0,
0
],
[
0,
4.97778341,
0
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[
0,
0,
19.88265401
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] | agm005907839 | [
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[
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[
2.4888917... | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached"... | [
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Sc"
] | 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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... | 0.000006 | 23.470577 | pbe | true | ad815a4c0bb489dc568f81778a84fa8f_123_Pr3Tm12Sc1 |
[
"N",
"Pa",
"Sc",
"Se"
] | 10 | A2BCD | N2PaScSe | Sc2 Pa2 Se2 N4 | 4 | [
1,
1,
1
] | 3 | [
[
4.02178678,
0,
0
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[
0,
6.86000153,
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[
0,
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] | agm005010418 | [
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[
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[
1.005446... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
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"Pa",
"Se",
"Se",
"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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] | -89.433188 | [
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[
0,
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[
0,
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... | 0 | 0 | pbe | true | e1eb7dc0ebbb918318e5232e268b8d07_11_Sc2Pa2Se2N4 |
[
"Ir",
"Ni",
"O",
"Sr"
] | 20 | A6B2CD | IrNiO6Sr2 | Sr4 Ni2 Ir2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.64346298,
0.00000536,
-0.01496506
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[
0.00001112,
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0.00006005
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[
0.0144556,
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]
] | agm004934709 | [
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": ... | [
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
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0.6,
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] | [
[
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[
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[
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] | -123.301736 | [
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[
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[
0,
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0
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... | 9.950908 | 3.359688 | pbe | true | 89ffd82f94cd2ac68980871166b6c9c7_14_Sr4Ni2Ir2O12 |
[
"Pt",
"Rb",
"Sn"
] | 14 | A4B2C | Pt2RbSn4 | Rb2 Sn8 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.3934878,
0,
0
],
[
0,
8.9511167,
0
],
[
0,
0,
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] | agm003456163 | [
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[
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[
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[
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... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Rb",
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"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Pt",
"Pt",
"Pt",
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
[
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[
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[
0,
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] | -62.128561 | [
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[
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[
0,
0.00374725,
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[
0,
-0.0037472... | -0 | 5.745362 | pbe | true | d225ba3f7d723419726e45d6434b127c_136_Rb2Sn8Pt4 |
[
"Ir",
"Ni",
"Pm",
"Si"
] | 5 | A2BCD | IrNiPmSi2 | Pm1 Si2 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.04456561,
0,
0
],
[
0,
4.04456561,
0
],
[
-2.02228281,
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]
] | agm005018677 | [
[
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[
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[
1.6457449872125267e-8,
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[
2.0222828025000004,
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2.515980725
],
[
-2.4999999848063226e-9,
2.02228280750... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Si",
"Si",
"Ni",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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],
[
0,
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[
0,
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] | -34.769813 | [
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[
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[
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.44111 | 3.883234 | pbe | true | 9540a12e281a43c5710789c082d1cdfc_119_Pm1Si2Ni1Ir1 |
[
"Ru",
"Sn",
"Yb"
] | 12 | A3B2C | RuSn3Yb2 | Yb4 Sn6 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
6.03536277,
0,
0
],
[
-3.01768138,
5.22677748,
0
],
[
0,
0,
8.84070401
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] | agm002310847 | [
[
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[
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[
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[
-2... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Yb", "attached"... | [
"Ru",
"Ru",
"Yb",
"Yb",
"Yb",
"Yb",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
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] | [
[
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[
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[
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] | -54.47584 | [
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[
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[
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[
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[
0,
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0
],
[
-0.00299107,... | -0 | 3.639316 | pbe | true | 7b1151988269673a8b5d369059de62e9_194_Yb4Sn6Ru2 |
[
"Fe",
"Li",
"Te"
] | 3 | ABC | FeLiTe | Li1 Fe1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65103021,
0.01056677,
-1e-8
],
[
2.19929219,
4.09820785,
-1e-8
],
[
-3.42515924,
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]
] | agm004161053 | [
[
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[
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[
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2.38326986682947
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached"... | [
"Fe",
"Li",
"Te"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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[
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[
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] | -13.470184 | [
1.16,
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[
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[
0.00062321,
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0
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[
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0
]
] | 0.954848 | 1.357254 | pbe | true | fe959626fc79feb5e3051d07fbc01fa1_107_Li1Fe1Te1 |
[
"Cd",
"Co",
"Hg"
] | 4 | A2BC | CdCo2Hg | Cd1 Co2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
4.89045068,
0.01120087,
0
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[
1.6626808,
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0
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[
-3.27656832,
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] | agm004107251 | [
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[
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[
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0
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Co", "attached"... | [
"Cd",
"Co",
"Co",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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] | -13.581404 | [
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[
0,
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[
0,
0,
0
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] | 2.902138 | 5.82509 | pbe | true | 72f31bc736f7b0be027160d2c4f9c341_119_Cd1Co2Hg1 |
[
"N",
"Pm",
"Pu",
"Sb"
] | 11 | A4B3C2D2 | N2Pm4Pu2Sb3 | Pm4 Pu2 Sb3 N2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.80503559,
0
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[
-2.4025178,
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] | agm004490922 | [
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[
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... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pm",
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"Pm",
"Pm",
"Pu",
"Pu",
"Sb",
"Sb",
"Sb",
"N",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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[
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] | -87.829301 | [
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0.034,
5.239,
5.239,
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... | 10.941704 | 23.587543 | pbe | true | e55a5be2f23cc2deed2663da0e1f799d_139_Pm4Pu2Sb3N2 |
[
"Ir",
"Ni",
"Sn",
"Sr"
] | 5 | A2BCD | IrNiSn2Sr | Sr1 Ni1 Sn2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.50610952,
0
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[
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] | agm005020796 | [
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[
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Sr",
"Ni",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
0.2,
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] | -26.139462 | [
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[
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] | 0.000045 | 3.862231 | pbe | true | a59eef199527b0d8eff1a4ee4a391588_119_Sr1Ni1Sn2Ir1 |
[
"Ir",
"Np",
"O",
"Sr"
] | 10 | A6B2CD | IrNpO6Sr2 | Sr2 Np1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.88073525,
0,
0
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[
2.94036763,
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0
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[
2.94036763,
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] | agm002299635 | [
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[
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[
7.38740650101009... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Np", "attached": ... | [
"Np",
"Sr",
"Sr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
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] | -78.455523 | [
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0.006,
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... | 1.999999 | 7.905517 | pbe | true | cdff8748cd09295b88bde86eb8223b06_225_Sr2Np1Ir1O6 |
[
"Li",
"Pt",
"Y"
] | 4 | A2BC | LiPtY2 | Li1 Y2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.88936307,
0,
0
],
[
2.44468154,
4.23431263,
0
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[
2.44468154,
1.41143754,
3.99214823
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] | agm004204762 | [
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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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached":... | [
"Li",
"Pt",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
1.8295476,
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[
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0,
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] | -22.365738 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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] | -0.000012 | 3.91059 | pbe | true | 3e53e62268248d9b1d90cac0fdc43a27_216_Li1Y2Pt1 |
[
"Li",
"Pt",
"Zn"
] | 4 | A2BC | LiPt2Zn | Li1 Zn1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
2.81502682,
0,
0
],
[
0,
2.81502682,
0
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[
0,
0,
7.19100661
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] | agm003182469 | [
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[
0,
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[
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] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Pt",
"Pt",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
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0
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[
0,
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] | -17.439561 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.000001 | 1.124871 | pbe | true | 441bfd8a06d73a71a225495b5e0c8238_123_Li1Zn1Pt2 |
[
"Ac",
"Ir",
"Pb",
"Sn"
] | 10 | A2BCD | Ac2IrPbSn | Ac4 Sn2 Ir2 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
4.54431307,
0,
0
],
[
0,
8.59554584,
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[
0,
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] | agm005001683 | [
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[
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[
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... | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached"... | [
"Ac",
"Ac",
"Ac",
"Ac",
"Sn",
"Sn",
"Ir",
"Ir",
"Pb",
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] | 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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] | -55.586456 | [
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0,
0,
0,
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[
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[
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[
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[
0,
0.00051885,
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[
0,
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... | 0 | 5.616392 | pbe | true | fffa7a281ad2580cded77cad2426a591_63_Ac4Sn2Ir2Pb2 |
[
"Ir",
"Np",
"Ru",
"Si"
] | 5 | A2BCD | IrNpRuSi2 | Np1 Si2 Ir1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.10316939,
0,
0
],
[
0,
4.10316939,
0
],
[
-2.05158469,
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]
] | agm005018226 | [
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[
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[
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[
2.0515846975,
2.4999999848063226e-9,
2... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached"... | [
"Np",
"Si",
"Si",
"Ir",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0
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[
0,
5.6527643,
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[
0,
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]
] | -45.34357 | [
3.617,
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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
]
] | 3.667224 | 14.047863 | pbe | true | a5d064eacdeda5c499495f7bf756cced_119_Np1Si2Ir1Ru1 |
[
"Ir",
"Np",
"Si",
"Tc"
] | 5 | A2BCD | IrNpSi2Tc | Np1 Si2 Tc1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.16905685,
0,
0
],
[
0,
4.16905685,
0
],
[
-2.08452843,
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4.8663465
]
] | agm005019082 | [
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[
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[
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[
-2.5000002068509275e-9,
2.0845284274999... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Si",
"Si",
"Tc",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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[
0,
4.8945165,
0
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[
0,
0,
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]
] | -45.936827 | [
3.635,
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] | [
[
0,
0,
0
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[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.620734 | 12.243274 | pbe | true | 7f905770482501c4d8123384c7eac278_119_Np1Si2Tc1Ir1 |
[
"Ir",
"O",
"Pa",
"Sr"
] | 10 | A6B2CD | IrO6PaSr2 | Sr2 Pa1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.93210647,
0,
0
],
[
2.96605323,
5.1373549,
0
],
[
2.96605323,
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4.84354465
]
] | agm002366079 | [
[
2.9660532325,
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[
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[
5.932106462431486,
5.18428525097125,
3.665843258702331
],
[
7.455775960842169,
2.545212270730118,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Sr",
"Sr",
"Pa",
"O",
"O",
"O",
"O",
"O",
"O",
"Ir"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
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[
0,
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[
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] | -77.088938 | [
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[
0... | 0 | -0.000622 | pbe | true | 3c5132b9937e37cf3569260ccd3d4722_225_Sr2Pa1Ir1O6 |
[
"Ir",
"O",
"Pr",
"Rb"
] | 10 | A6B2CD | IrO6PrRb2 | Rb2 Pr1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
6.08863109,
0,
0
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[
3.04431555,
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0
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[
3.04431555,
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] | agm004964193 | [
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[
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4.486900... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Rb",
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"Ir",
"O",
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] | 2023-11-16 06:57:59 | [
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[
0.00358446,
0.00206949,
-0... | 0.002001 | 6.040946 | pbe | true | 860eb443dc336d340822759319aff435_225_Rb2Pr1Ir1O6 |
[
"Ba",
"Ru",
"V"
] | 5 | A3BC | Ba3RuV | Ba3 V1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.89283515,
0,
0
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[
0,
5.89283515,
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[
0,
0,
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] | agm002621640 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "V", "attached":... | [
"Ru",
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"Ba",
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] | -20.352773 | [
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[
0,
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[
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0,
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] | 4.891994 | 7.383292 | pbe | true | 52045c3870dd2e390261130649bc8f18_221_Ba3V1Ru1 |
[
"Ir",
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"Rb",
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] | 10 | A6B2CD | IrO6Rb2Y | Rb2 Y1 Ir1 O6 | 4 | [
1,
1,
1
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0,
0
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[
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[
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"Rb",
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... | 0.000195 | 5.953839 | pbe | true | 0aad2d24b5270f367ec65687e69437e9_225_Rb2Y1Ir1O6 |
[
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1,
1,
1
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[
2.23042613,
0,
10.52493375
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[
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached"... | [
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[
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[
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0,
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[
0,
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] | 0.417814 | 5.223161 | pbe | true | 7827612925ba996b7c1108fefa482f78_166_Ba1Sc2Te1 |
[
"Ir",
"O",
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] | 10 | A6B2CD | IrO6Sr2Th | Sr2 Th1 Ir1 O6 | 4 | [
1,
1,
1
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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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Sr",
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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... | -0.001523 | 6.186151 | pbe | true | 49da8b274d7d595d628a81a3725c8c75_225_Sr2Th1Ir1O6 |
[
"Fe",
"O",
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] | 24 | A4BC | FeO4Ti | Fe4 O16 Ti4 | 3 | [
1,
1,
1
] | 3 | [
[
1.43306612,
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[
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[
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-0.0000971... | 1.984 | 1.58783 | pbe | true | 1d5903557242fe8838b7d4c9b5933fc0_31_Ti4Fe4O16 |
[
"N",
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"Th",
"W"
] | 18 | A5B2CD | N5PmTh2W | Pm2 Th4 W2 N10 | 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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[
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2.25... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pm", "attached": ... | [
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[
0,... | 0.000001 | -0.237275 | pbe | true | 6a955ad3fb3a8b799ddce1f0defbcc39_127_Pm2Th4W2N10 |
[
"Fe",
"O",
"Ti"
] | 50 | A30B13C7 | Fe13O30Ti7 | Fe13 O30 Ti7 | 3 | [
1,
1,
1
] | 3 | [
[
4.57871568,
0.00919911,
3.13014652
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[
1.668605,
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[
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] | mp-685365 | [
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[
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": ... | [
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"O... | 2013-12-18 21:13:15 | [
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... | [] | -3.937 | 4.123176 | pbe | true | 6b63672679a1d55cb6b8abc473ca4d55_1_Ti7Fe13O30 |
[
"Ir",
"Os",
"Pa",
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1,
1,
1
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0,
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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": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pa",
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[
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[
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] | 0.000004 | 3.403205 | pbe | true | b92ab6ad7909f8ca1a2147c4c3bfee7e_119_Pa1Si2Ir1Os1 |
[
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"Ni",
"Ti"
] | 5 | A3BC | CdNiTi3 | Ti3 Cd1 Ni1 | 3 | [
1,
1,
1
] | 3 | [
[
4.95012592,
0,
0
],
[
0,
4.95012592,
0
],
[
0,
0,
4.95012592
]
] | agm002612701 | [
[
2.47506296,
2.47506296,
2.47506296
],
[
0,
2.47506296,
0
],
[
0,
0,
2.47506296
],
[
2.47506296,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ni",
"Ti",
"Ti",
"Ti",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.64083135,
0,
0
],
[
0,
0.64083135,
0
],
[
0,
0,
0.64083135
]
] | -22.477601 | [
-0.558,
1.108,
1.013,
1.167,
0.073
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.177542 | 13.671427 | pbe | true | fe838dc5dcd1600a3dc55166b0c6d7f8_221_Ti3Cd1Ni1 |
[
"Fe",
"Re",
"Ru"
] | 4 | A2BC | FeRe2Ru | Fe1 Re2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.79295016,
0,
0
],
[
0,
3.79251594,
0
],
[
0,
0,
3.83099694
]
] | agm003864955 | [
[
0,
1.89625797,
1.91549847
],
[
0,
0,
0
],
[
1.89647508,
1.89625797,
0
],
[
1.89647508,
0,
1.91549847
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached"... | [
"Fe",
"Re",
"Re",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.5192347,
0,
0
],
[
0,
5.73815,
0
],
[
0,
0,
5.6670246
]
] | -42.365994 | [
1.447,
-0.127,
-0.127,
-0.142
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.027262 | 4.432019 | pbe | true | b54cb0c17883c23cf485e47afdfbf503_123_Fe1Re2Ru1 |
[
"Fe",
"Re",
"Tl"
] | 4 | A2BC | FeReTl2 | Tl2 Fe1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
3.00349909,
0,
0
],
[
0,
5.32225173,
0
],
[
0,
0,
4.80008754
]
] | agm004196714 | [
[
1.501749545,
0,
2.40004377
],
[
0,
2.661125865,
2.40004377
],
[
0,
0,
0
],
[
1.501749545,
2.661125865,
0
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached"... | [
"Fe",
"Re",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.6203227,
0,
0
],
[
0,
4.82584,
0
],
[
0,
0,
4.4705815
]
] | -21.468281 | [
2.853,
0.309,
-0.035,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.149156 | 3.082528 | pbe | true | ddee88dfc22815c59da441e172da4bee_47_Tl2Fe1Re1 |
[
"Ir",
"P",
"Pr",
"Tc"
] | 5 | A2BCD | IrP2PrTc | Pr1 Tc1 P2 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.08322407,
0,
0
],
[
0,
4.08322407,
0
],
[
-2.04161204,
-2.04161203,
5.31075186
]
] | agm005022491 | [
[
0,
0,
0
],
[
2.0416120325,
2.4999999848063226e-9,
2.65537593
],
[
2.0416120336205736,
2.0416120363794263,
1.4651580514765463
],
[
-3.6205736900609278e-9,
3.6205738659312075e-9,
3.8455938085234536
],
[
-2.4999999848063226e-9,
2.0416120375,
... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pr",
"Tc",
"P",
"P",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.3494246,
0,
0
],
[
0,
2.3494246,
0
],
[
0,
0,
2.3293996
]
] | -39.518367 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.0007409
],
[
0,
0,
-0.0007409
],
[
0,
0,
0
]
] | 0.000003 | 1.983301 | pbe | true | 43ad7a970d3defe9647b9c9169a973dc_119_Pr1Tc1P2Ir1 |
[
"Ir",
"P",
"Rh",
"Sr"
] | 5 | A2BCD | IrP2RhSr | Sr1 P2 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
3.95908981,
0,
0
],
[
0,
3.95908981,
0
],
[
-1.97954491,
-1.97954491,
5.98562863
]
] | agm005007234 | [
[
0,
0,
0
],
[
1.9795449035950194,
1.9795449035950194,
1.6819381813657703
],
[
-3.5950196768642006e-9,
-3.5950196768642006e-9,
4.30369044863423
],
[
-2.4999999848063226e-9,
1.9795449025,
2.992814315
],
[
1.9795449025,
-2.4999999848063226e-9,
... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"P",
"P",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
3.36985,
0,
0
],
[
0,
3.36985,
0
],
[
0,
0,
3.5131881
]
] | -33.14728 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00373375
],
[
0,
0,
0.00373375
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.291026 | pbe | true | 70b51ce4b851ff2241d67027cf79a295_119_Sr1P2Ir1Rh1 |
[
"Fe",
"Rh",
"Sr"
] | 3 | ABC | FeRhSr | Sr1 Fe1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
5.97784315,
0.00221694,
-0.00360969
],
[
4.01717613,
4.42683967,
0.00360968
],
[
-4.93410884,
-2.3576064,
2.41472331
]
] | agm004238070 | [
[
4.515889934726831,
1.8299372520114217,
2.414723300545292
],
[
3.8627222274896087,
1.7116740783572328,
-3.864647099919358e-9
],
[
6.677317557783559,
2.9588954896313444,
-6.680645000068951e-9
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached"... | [
"Fe",
"Rh",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.4168963,
0.00095823,
-0.10923651
],
[
0.00095823,
5.4151583,
0.24650878
],
[
-0.10923651,
0.24650878,
5.4504824
]
] | -16.998236 | [
2.86,
0.452,
-0.083
] | [
[
-0.00202162,
-0.00089583,
0
],
[
-0.00228645,
-0.00101319,
0
],
[
0.00430807,
0.00190902,
0
]
] | 3.036207 | 2.056925 | pbe | true | fa64527393cd33f55c42b3567914e72e_44_Sr1Fe1Rh1 |
[
"Ir",
"P",
"Rh",
"Y"
] | 6 | A2B2CD | IrP2Rh2Y | Y1 P2 Ir1 Rh2 | 4 | [
1,
1,
1
] | 3 | [
[
4.47498533,
0,
0
],
[
0,
4.47498533,
0
],
[
0,
0,
5.50640776
]
] | agm004749043 | [
[
0,
0,
2.75320388
],
[
2.237492665,
0,
0
],
[
0,
2.237492665,
0
],
[
0,
0,
0
],
[
2.237492665,
2.237492665,
4.122118489318497
],
[
2.237492665,
2.237492665,
1.3842892706815033
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Y",
"P",
"P",
"Ir",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.3333333333333333,
0.16666666666666666
] | [
[
4.9312687,
0,
0
],
[
0,
4.9312687,
0
],
[
0,
0,
4.9194946
]
] | -42.332644 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00566191
],
[
0,
0,
-0.00566191
]
] | 0.000004 | 2.253266 | pbe | true | 115eaf042ad9a80a7f3fe3d674bd03be_123_Y1P2Ir1Rh2 |
[
"Ir",
"Pa",
"Pt",
"Si"
] | 6 | A2B2CD | Ir2PaPtSi2 | Pa1 Si2 Ir2 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.505992,
0,
0
],
[
0,
4.505992,
0
],
[
0,
0,
5.47714484
]
] | agm004747794 | [
[
0,
0,
2.73857242
],
[
2.252996,
0,
0
],
[
0,
2.252996,
0
],
[
2.252996,
2.252996,
4.053932524134606
],
[
2.252996,
2.252996,
1.4232123158653944
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pa",
"Si",
"Si",
"Ir",
"Ir",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] | [
[
3.9732916,
0,
0
],
[
0,
3.9732916,
0
],
[
0,
0,
4.3218126
]
] | -44.954552 | [
0.001,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.01276012
],
[
0,
0,
-0.01276012
],
[
0,
0,
0
]
] | 0.001241 | 5.610363 | pbe | true | 4bb54586700c20a0ad0d0167d922488b_123_Pa1Si2Ir2Pt1 |
[
"Ir",
"Pa",
"Rh",
"Si"
] | 5 | A2BCD | IrPaRhSi2 | Pa1 Si2 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.04757253,
0,
0
],
[
0,
4.04757253,
0
],
[
-2.02378626,
-2.02378626,
5.03690389
]
] | agm005019008 | [
[
0,
0,
0
],
[
2.0237862661670807,
2.0237862661670807,
1.175694361340551
],
[
3.832919640871696e-9,
3.832919640871696e-9,
3.8612095286594483
],
[
2.0237862675000002,
2.4999999848063226e-9,
2.518451945
],
[
2.4999999848063226e-9,
2.0237862675000... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pa",
"Si",
"Si",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
4.08234,
0,
0
],
[
0,
4.08234,
0
],
[
0,
0,
4.1380444
]
] | -41.456886 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00578556
],
[
0,
0,
-0.00578556
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003 | 3.623417 | pbe | true | df410b416bd182216fd4b0cb7a0b8f4f_119_Pa1Si2Ir1Rh1 |
[
"Cs",
"F"
] | 6 | AB | CsF | Cs3 F3 | 2 | [
1,
1,
1
] | 3 | [
[
12.30453665,
0,
0
],
[
-2.7e-7,
4.11629392,
0
],
[
0,
0,
15.50294737
]
] | agm2000009933 | [
[
4.092015160946424,
3.8155496240834132,
7.905712198325182
],
[
8.21252061937089,
3.8155499122239873,
7.905711888266235
],
[
12.304536030712097,
3.8136975799599875,
7.446097867941529
],
[
10.256838678105318,
1.7552271204208145,
7.651137214356097
],
[
... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.16029815,
-1e-8,
0
],
[
-1e-8,
0.13369758,
-0.00141571
],
[
0,
-0.00141571,
-0.27646983
]
] | -23.314337 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00335368,
-0.00122629,
-0.00129544
],
[
-0.00335368,
-0.00122629,
-0.00129544
],
[
0,
-0.00188211,
-0.00287487
],
[
0.000039,
0.00174578,
0.00496437
],
[
-0.000039,
0.00174578,
0.00496437
],
[
0,
0.00084314,
-0.00446299
... | -0.000097 | 0 | pbe | true | f59fb7860a489063b32e5877d44e7a07_25_Cs3F3 |
[
"Ga",
"Gd",
"Mn"
] | 4 | A2BC | GaGd2Mn | Gd2 Mn1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
4.00256123,
0,
0
],
[
0,
4.77492296,
0
],
[
0,
0,
4.77492296
]
] | agm001215369 | [
[
2.001280615,
0,
0
],
[
0,
0,
2.38746148
],
[
0,
2.38746148,
0
],
[
2.001280615,
2.38746148,
2.38746148
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached"... | [
"Mn",
"Gd",
"Gd",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.5019002,
0,
0
],
[
0,
2.8484116,
0
],
[
0,
0,
2.8484116
]
] | -41.109283 | [
3.485,
-7.211,
-7.211,
-0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -11.145698 | 4.663054 | pbe | true | 4018be297a537801bad17255723f08a9_123_Gd2Mn1Ga1 |
[
"Ir",
"Pm",
"Sn",
"Zn"
] | 5 | A2BCD | IrPmSnZn2 | Pm1 Zn2 Sn1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
3.91006214,
0,
0
],
[
0,
4.45452844,
0
],
[
-1.95503107,
-2.22726422,
5.82397658
]
] | agm005003887 | [
[
1.9550310578125943e-8,
2.227264224424539e-8,
5.358609692983297
],
[
1.955031089550311,
2.2272642153683536e-8,
2.276870540003695
],
[
1.9550310685588033e-8,
2.2272642204786145e-8,
0.697340533379367
],
[
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2.2272641977273575,
3.8301445459... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Zn",
"Zn",
"Sn",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0
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[
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[
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] | -21.953715 | [
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[
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[
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[
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[
0,
0,
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]
] | 0 | 2.706568 | pbe | true | b558bf6140967eee1ec55ef7cc6eb48b_44_Pm1Zn2Sn1Ir1 |
[
"Na",
"P",
"Pd",
"S"
] | 12 | A8B2CD | NaP2PdS8 | Na1 P2 Pd1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
5.8105056,
0.00000227,
0
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[
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0
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[
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0,
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] | agm004883211 | [
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"Na",
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"P",
"Pd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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0.0046208... | 0.056974 | 12.102381 | pbe | true | 1f77117a3d021220bd110c5af2fb0bf2_147_Na1P2Pd1S8 |
[
"Ir",
"Pm",
"Ti",
"Zn"
] | 5 | A2BCD | Ir2PmTiZn | Pm1 Ti1 Zn1 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
4.06013525,
0,
0
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[
0,
4.06013525,
0
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[
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] | agm005017536 | [
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[
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... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ti", "attached"... | [
"Pm",
"Ti",
"Zn",
"Ir",
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] | 2023-11-16 06:57:59 | [
0.4,
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] | -0.000001 | 2.934823 | pbe | true | 8dc82fd5d08d5409e2fb54a8ebe8f235_119_Pm1Ti1Zn1Ir2 |
[
"Ir",
"Pr",
"Rh",
"Si"
] | 5 | A2BCD | IrPrRhSi2 | Pr1 Si2 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.12126541,
0
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[
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[
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-2.499999984806322... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pr",
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"Si",
"Ir",
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] | 2023-11-16 06:57:59 | [
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[
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] | -37.151803 | [
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[
0,
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[
0,
0,
0
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] | -0 | 1.978155 | pbe | true | 9b6d35ac35549d9ab61ff788c475f7b2_119_Pr1Si2Ir1Rh1 |
[
"Ir",
"Pr",
"Sn",
"Zn"
] | 5 | A2BCD | IrPrSnZn2 | Pr1 Zn2 Sn1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.03229055,
0,
0
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[
0,
4.48552091,
0
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[
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] | agm005003885 | [
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[
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3.74840169674... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached"... | [
"Pr",
"Zn",
"Zn",
"Sn",
"Ir"
] | 2023-11-16 06:57:59 | [
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0.2,
0.2,
0.4
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[
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[
0,
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] | -21.96083 | [
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[
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[
0,
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[
0,
0,
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] | 0.000002 | 2.694102 | pbe | true | bc89c34a1a246e3703b8e63994bf0ece_44_Pr1Zn2Sn1Ir1 |
[
"Cd",
"Os",
"Ta"
] | 4 | A2BC | CdOs2Ta | Ta1 Cd1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
4.52553206,
0,
0
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[
2.26276603,
3.91922573,
0
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[
2.26276603,
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] | agm002142309 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Os", "attached"... | [
"Cd",
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"Os",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
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] | -34.477597 | [
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[
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[
0,
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0
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[
0,
0,
0
]
] | 0 | 4.036121 | pbe | true | d927dab90ad9304724ad418cea3d7b5b_225_Ta1Cd1Os2 |
[
"Ir",
"Pt",
"S",
"U"
] | 20 | A12B4C3D | Ir3Pt4S12U | U1 Ir3 Pt4 S12 | 4 | [
1,
1,
1
] | 3 | [
[
7.79434569,
-0.09284906,
-0.1289927
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[
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[
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[
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3.42667588... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ir", "attached": nu... | [
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.15,
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0.6,
0.05
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[
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0.053,
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[
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0.00159715,
-0.0011... | -0.648396 | 16.719471 | pbe | true | 9484928b5c73cad73215d03c14331a33_155_U1Ir3Pt4S12 |
[
"Na",
"Rb",
"Sn",
"Zn"
] | 9 | A4B2C2D | Na4Rb2Sn2Zn | Rb2 Na4 Zn1 Sn2 | 4 | [
1,
1,
1
] | 3 | [
[
5.82461676,
-0.05368079,
-0.03652144
],
[
1.23641234,
7.81605827,
0.36120455
],
[
1.23641234,
3.20584814,
7.13749069
]
] | agm004565922 | [
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[
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],
[
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8.410002002404852,
2.753827224012195
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[
6... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Na",
"Na",
"Na",
"Na",
"Zn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
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[
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[
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] | -17.253408 | [
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[
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[
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[
0.00391657,
-0.0020... | -0.000025 | 1.266043 | pbe | true | da0df9efacee84314ee72913a5cd5c43_12_Rb2Na4Zn1Sn2 |
[
"Ba",
"Fe",
"Nd",
"O"
] | 10 | A6B2CD | Ba2FeNdO6 | Ba2 Nd1 Fe1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.97965491,
0,
0
],
[
2.98982746,
5.17853306,
0
],
[
2.98982746,
1.72617769,
4.88236779
]
] | agm002229908 | [
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[
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[
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[
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3.772985781312807
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[
7.610772444684841,
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Nd",
"Ba",
"Ba",
"O",
"O",
"O",
"O",
"O",
"O",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.1,
0.6
] | [
[
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0,
0
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[
0,
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[
0,
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] | -66.508768 | [
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3.402
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[
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[
0... | 3.090261 | 4.148196 | pbe | true | 0a6bd7650084fae1583d6dc828e6442c_225_Ba2Nd1Fe1O6 |
[
"Ir",
"Re",
"Rh",
"Sc"
] | 12 | A6B3C2D | Ir3ReRh6Sc2 | Sc2 Re1 Ir3 Rh6 | 4 | [
1,
1,
1
] | 3 | [
[
3.65322524,
0,
0
],
[
0,
3.65322524,
0
],
[
0,
0,
17.10634927
]
] | agm004661333 | [
[
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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,
... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached"... | [
"Sc",
"Sc",
"Re",
"Ir",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.08333333333333333,
0.5,
0.16666666666666666
] | [
[
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0
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[
0,
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[
0,
0,
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]
] | -91.271488 | [
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0,
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0,
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] | [
[
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[
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[
0,
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[
0,
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[
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[
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[
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0.00317402
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[
0,
0,
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[
0,
0,
0.00317... | -0.000148 | 17.4125 | pbe | true | dd979f0f0cf6e60b7831c41258a2c89b_123_Sc2Re1Ir3Rh6 |
[
"Ir",
"Rh",
"Si",
"Sm"
] | 5 | A2BCD | IrRhSi2Sm | Sm1 Si2 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.09578795,
0,
0
],
[
0,
4.09578795,
0
],
[
-2.04789397,
-2.04789397,
5.05529291
]
] | agm005018995 | [
[
0,
0,
0
],
[
2.047893955753042,
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1.2456056200990204
],
[
2.4246958278660067e-8,
2.4246958278660067e-8,
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],
[
2.4999999848063226e-9,
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2.527646455
],
[
2.0478939775000002,
2.499999984806322... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Si",
"Si",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
4.1653876,
0,
0
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[
0,
4.1653876,
0
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[
0,
0,
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] | -37.252001 | [
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[
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[
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.041021 | pbe | true | 10c6a671aa33388fdb7be82e4c28f908_119_Sm1Si2Ir1Rh1 |
[
"Cd",
"Os",
"Te"
] | 4 | A2BC | Cd2OsTe | Cd2 Te1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
3.74825602,
0,
0
],
[
0,
3.74825602,
0
],
[
0,
0,
5.84843605
]
] | agm003955123 | [
[
1.87412801,
1.87412801,
4.3863270375
],
[
1.87412801,
1.87412801,
1.4621090125
],
[
0,
0,
0.12353973132397751
],
[
0,
0,
2.8006782936760226
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached"... | [
"Te",
"Os",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
5.257662,
0
],
[
0,
0,
5.8182
]
] | -13.584285 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0
],
[
0,
0,
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],
[
0,
0,
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]
] | 0.000078 | 2.420004 | pbe | true | d225790e25cd22d7a91e047e49eaaea9_123_Cd2Te1Os1 |
[
"Ba",
"Ga",
"Hg",
"In"
] | 5 | A2BCD | BaGaHgIn2 | Ba1 In2 Ga1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.91134532,
0,
0
],
[
0,
4.87532417,
0
],
[
-2.45567266,
-2.43766208,
6.04198358
]
] | agm005004478 | [
[
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4.3780219713983575e-9,
5.290387649055096
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[
2.45567266,
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[
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0.7316151516656807
],
[
1.145427050997512e-17,
2.4376620869544583,
2.36176111... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Hg", "attached"... | [
"Ba",
"In",
"In",
"Ga",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.9854522,
0,
0
],
[
0,
2.9298084,
0
],
[
0,
0,
2.9860055
]
] | -12.532356 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
0.00410809
],
[
0,
0,
0.00091351
]
] | 0.000001 | 2.007968 | pbe | true | e6dea2abdd6e30f3a56a4eabe106765a_44_Ba1In2Ga1Hg1 |
[
"Ir",
"Rh",
"Sn",
"Sr"
] | 5 | A2BCD | IrRhSn2Sr | Sr1 Sn2 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.47503481,
0,
0
],
[
0,
4.47503481,
0
],
[
-2.23751741,
-2.23751741,
5.76715432
]
] | agm005010646 | [
[
0,
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0
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[
2.237517381322283,
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1.5023934709017819
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[
1.8677717377235757e-8,
1.8677717377235757e-8,
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[
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2.2375174025,
2.88357716
],
[
2.2375174025,
-2.4999999848063226e-9,
2.... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached"... | [
"Sr",
"Sn",
"Sn",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
],
[
0,
4.522358,
0
],
[
0,
0,
4.6188774
]
] | -28.480636 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0.00213676
],
[
0,
0,
-0.00213676
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.756651 | pbe | true | a6d677903cb2860bcabaf0acdf61414d_119_Sr1Sn2Ir1Rh1 |
[
"Ir",
"Ru",
"Si",
"Tb"
] | 5 | A2BCD | IrRuSi2Tb | Tb1 Si2 Ir1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.13773281,
0,
0
],
[
0,
4.13773281,
0
],
[
-2.06886641,
-2.06886641,
4.88625233
]
] | agm005018230 | [
[
0,
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0
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[
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1.2396470046482835
],
[
-3.731495177748617e-9,
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[
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2.0688664025000003,
2.443126165
],
[
2.0688664025000003,
-2.4999999848063... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached"... | [
"Tb",
"Si",
"Si",
"Ir",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
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[
0,
4.57246,
0
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[
0,
0,
3.9009686
]
] | -38.769091 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0.00408037
],
[
0,
0,
-0.00408037
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 1.91181 | pbe | true | a8e6338277e8a63b7d08f62253559228_119_Tb1Si2Ir1Ru1 |
[
"Ir",
"Th",
"Ti",
"Zn"
] | 5 | A2BCD | Ir2ThTiZn | Th1 Ti1 Zn1 Ir2 | 4 | [
1,
1,
1
] | 3 | [
[
3.96318469,
0,
0
],
[
0,
3.96318469,
0
],
[
-1.98159235,
-1.98159234,
6.08601058
]
] | agm005017537 | [
[
0,
0,
0
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[
-2.4999999848063226e-9,
1.9815923475,
3.04300529
],
[
1.9815923425,
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[
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1.9815923461083431,
1.3490778100144227
],
[
-3.891656731424835e-9,
3.891656621272305e-9,
4.7369327... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached"... | [
"Th",
"Ti",
"Zn",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.3463187,
0,
0
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[
0,
2.3463187,
0
],
[
0,
0,
2.0805793
]
] | -37.855418 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
-0.00020289
],
[
0,
0,
0.00020289
]
] | -0 | 3.236751 | pbe | true | 5a04e8fa2ed4347e8a7cdabbd926ce13_119_Th1Ti1Zn1Ir2 |
[
"Nd",
"Pa",
"Sb",
"Tm"
] | 9 | A5B2CD | Nd2PaSb5Tm | Nd2 Tm1 Pa1 Sb5 | 4 | [
1,
1,
1
] | 3 | [
[
5.49610176,
0,
0
],
[
0,
5.49610176,
0
],
[
0,
0,
11.53646917
]
] | agm005174772 | [
[
2.74805088,
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[
2.74805088,
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[
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[
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[
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[
2.74805088,
0,
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[
0,
0,
8.7071... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Nd",
"Tm",
"Pa",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.5555555555555556,
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[
0,
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[
0,
0,
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]
] | -45.771563 | [
0,
0,
0,
0,
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0,
0,
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0
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[
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[
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[
0,
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[
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[
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[
0,
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[
0,
0,
-0.00173939
],
[
0,
0,
0.00173939
],
[
0,
0,
0
]
] | 0.000029 | 6.583786 | pbe | true | 4e0a6c75be8966716e92ea333c081d94_123_Nd2Tm1Pa1Sb5 |
[
"Ga",
"Gd",
"Sm"
] | 4 | A2BC | GaGdSm2 | Sm2 Gd1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
4.76784742,
0,
0
],
[
0,
4.80714812,
0
],
[
0,
0,
4.80714812
]
] | agm001206621 | [
[
2.38392371,
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2.40357406
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[
2.38392371,
0,
0
],
[
0,
0,
2.40357406
],
[
0,
2.40357406,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached"... | [
"Gd",
"Ga",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.1005769,
0,
0
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[
0,
1.2739727,
0
],
[
0,
0,
1.2739727
]
] | -27.55548 | [
7.258,
-0.027,
0.115,
0.115
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.88129 | 4.369595 | pbe | true | 05e61bafe26e322ef41b4ed98786bf51_123_Sm2Gd1Ga1 |
[
"Bi",
"Hg",
"In",
"Mg"
] | 10 | A2BCD | BiHg2InMg | Mg2 In2 Hg4 Bi2 | 4 | [
1,
1,
1
] | 3 | [
[
4.79142959,
0,
0
],
[
0,
8.86913559,
-0.00201958
],
[
0,
-2.04765569,
6.35295841
]
] | agm005010578 | [
[
1.1978573975,
4.633657796401191,
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[
3.5935721925,
2.1878221035988097,
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[
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[
3.5935721925,
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3.848130726424518
],
[
3.5935721925,
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached"... | [
"Mg",
"Mg",
"In",
"In",
"Hg",
"Hg",
"Hg",
"Hg",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
3.9502418,
0,
0
],
[
0,
3.9504266,
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],
[
0,
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3.942505
]
] | -18.095556 | [
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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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[
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[
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[
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],
[
0,
-0.00037182,
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],
[
0,
0.00429026,
0... | -0 | 3.055857 | pbe | true | aeb7203ea376cb86401f82e2491a9a30_11_Mg2In2Hg4Bi2 |
[
"K",
"La",
"Mo",
"O"
] | 24 | A8B2CD | KLaMo2O8 | K2 La2 Mo4 O16 | 4 | [
1,
1,
1
] | 3 | [
[
-4.17561772,
-5.38482209,
3.63614636
],
[
4.17561772,
-5.38482209,
-3.63614636
],
[
4.07092535,
5.38482209,
4.39940114
]
] | mp-1211443 | [
[
-0.026173092499999884,
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[
4.0970984425,
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[
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[
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[
-1.6403478099595... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mo", "attached": ... | [
"K",
"K",
"La",
"La",
"Mo",
"Mo",
"Mo",
"Mo",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2019-01-12 13:48:32 | [
0.08333333333333333,
0.08333333333333333,
0.16666666666666666,
0.6666666666666666
] | [
[
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[
0,
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0
],
[
0.07293084,
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]
] | -171.664656 | [
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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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0.00470174
],
[
-0.00974729,
0.05994791,
0.004701... | 0 | 1.798849 | pbe | true | fe767ce94787d789cb7997ab2c8ff953_15_K2La2Mo4O16 |
[
"K",
"La",
"N",
"O"
] | 164 | A27B9C3D2 | K3La2N9O27 | K12 La8 N36 O108 | 4 | [
1,
1,
1
] | 3 | [
[
13.73332741,
0,
0
],
[
0,
13.73332741,
0
],
[
0,
0,
13.73332741
]
] | mp-680063 | [
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[
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[
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[
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[
9.431... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": n... | [
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... | 2013-10-04 14:36:17 | [
0.07317073170731707,
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0... | [] | 0 | -0.061453 | pbe | true | c8626a7faeaef6277a9c3cdb03ff1698_213_K12La8N36O108 |
[
"K",
"La",
"O",
"P"
] | 36 | A12B4CD | KLaO12P4 | K2 La2 O24 P8 | 4 | [
1,
1,
1
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0
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... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": n... | [
"K",
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] | 2013-06-27 13:00:10 | [
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] | [] | 0 | -0.235642 | pbe | true | 1b74971f974169ab6d9bc7ec88666f0f_36_K2La2P8O24 |
[
"Bi",
"Ho",
"Te",
"Tl"
] | 12 | A3BCD | BiHoTe3Tl | Bi1 Ho1 Te3 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
2.120828187,
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0
],
[
2.120828187,
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0
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[
0,
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] | oqmd-7476427 | [
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[
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0.5966100000000005,... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached"... | [
"Bi",
"Bi",
"Ho",
"Ho",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2024-11-01 00:00:00 | [
0.16666666666666666,
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0.5,
0.16666666666666666
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[
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[
0,
0.017797,
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[
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0.... | 0.00935 | null | pbe | true | a25f11ede48dc2118075b6fc408ed687_63_Ho2Tl2Bi2Te6 |
[
"Ga",
"Ge",
"P"
] | 4 | A2BC | GaGeP2 | Ga1 Ge1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.23098099,
3.23098099
],
[
3.23098099,
0,
3.23098099
],
[
3.23098099,
3.23098099,
0
]
] | agm002724311 | [
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1.615490495
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[
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4.846471485
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[
3.23098099,
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3.23098099
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"Ge",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
0,
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[
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] | -16.754516 | [
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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,
0
]
] | 0.000001 | 2.363421 | pbe | true | b55dff3acab45ae74cabec495f5df151_225_Ga1Ge1P2 |
[
"Cd",
"Os",
"Zn"
] | 4 | A2BC | CdOs2Zn | Zn1 Cd1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
5.08970665,
-0.00211753,
0
],
[
2.21903235,
4.58050366,
0
],
[
-3.65437154,
-2.28919434,
2.70375224
]
] | agm004108192 | [
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1.35187612
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[
0,
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0
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[
3.6543695,
2.289193065,
0
],
[
1.1095151550000002,
2.2902511925,
1.35187612
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Zn", "attached"... | [
"Cd",
"Os",
"Os",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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-0.00000607
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[
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7.9088507,
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[
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] | -21.859471 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000153 | 5.039509 | pbe | true | d3f2bc1171dcd9c5cdbb090bf0ad5cff_139_Zn1Cd1Os2 |
[
"Cd",
"P",
"Pr"
] | 5 | A3BC | CdPPr3 | Cd1 P1 Pr3 | 3 | [
1,
1,
1
] | 3 | [
[
5.531766699,
0,
0
],
[
0,
5.531766699,
0
],
[
0,
0,
5.531766699
]
] | oqmd-5274484 | [
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0,
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0
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[
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2.765880000000002
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[
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0
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[
2.765880000000002,
0,
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[
0,
2.765880000000002,
2.765880000000002
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pr", "attached": ... | [
"Cd",
"P",
"Pr",
"Pr",
"Pr"
] | 2024-11-01 00:00:00 | [
0.2,
0.2,
0.6
] | [
[
4.45256944,
0,
0
],
[
0,
4.45256944,
0
],
[
0,
0,
4.45256944
]
] | -23.1796 | [
0,
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0.002,
0.001,
0.001
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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,
0,
0
]
] | 0.015871 | null | pbe | true | 4ee2824d56efb58138604ceabc49b495_221_Pr3Cd1P1 |
[
"Be",
"Br",
"Fe"
] | 5 | A3BC | BeBr3Fe | Be1 Fe1 Br3 | 3 | [
1,
1,
1
] | 3 | [
[
5.1107097,
0,
0
],
[
0,
5.1107097,
0
],
[
0,
0,
5.1107097
]
] | agm005417317 | [
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[
0,
0,
0
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[
0,
2.55535485,
0
],
[
0,
0,
2.55535485
],
[
2.55535485,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Fe",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.6648897,
0,
0
],
[
0,
1.6648897,
0
],
[
0,
0,
1.6648897
]
] | -15.195376 | [
0.252,
3.491,
0.159,
0.159,
0.159
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.877117 | 4.633172 | pbe | true | 17d0f41fef70e6da8ea31d02a8228ed0_221_Be1Fe1Br3 |
[
"Be",
"Br",
"In"
] | 4 | A2BC | Be2BrIn | Be2 In1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
3.29070819,
0,
0
],
[
0,
3.9386442,
-0.02185698
],
[
0,
0.05328455,
6.01920652
]
] | agm004139267 | [
[
0,
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[
0,
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3.4419479887339617
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[
1.645354095,
0.9979821875,
1.499337385
],
[
1.645354095,
2.9939465625,
4.498012155
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Be",
"Br",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.5446396,
0,
0
],
[
0,
0.3301554,
0.02970948
],
[
0,
0.02971005,
0.43182075
]
] | -10.062514 | [
0,
0,
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0
] | [
[
0,
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0.00413192
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[
0,
-0.02225757,
-0.00413192
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.674698 | pbe | true | 9747f9ece73e60518bbd58af88ed9d81_10_Be2In1Br1 |
[
"Nd",
"Pa",
"Se",
"Tm"
] | 8 | A4B2CD | NdPaSe4Tm2 | Nd1 Tm2 Pa1 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
3.99862425,
-0.0000018,
-0.00000181
],
[
0.00004249,
7.25462879,
-0.26072906
],
[
0.00003677,
2.43729307,
6.5482623
]
] | agm004859863 | [
[
1.9993661414211001,
6.0646162282984495,
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],
[
0.00003677000572,
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[
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1.21865045233572,
3.27412343600864
],
[
0.000041629222650000003,
4.845928370045175,
3.143797651553805
],
[
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Tm",
"Tm",
"Pa",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.5,
0.25
] | [
[
0.59177756,
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],
[
0.00000565,
0.87707806,
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],
[
0.00000288,
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]
] | -49.749665 | [
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0.015,
0.759,
-0.002,
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] | [
[
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[
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[
0,
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[
0,
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[
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[
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[
-1e-8,
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-0.00145044
],
[
1e-8,
0.00091036,
0.00145044
... | 0.942583 | 7.093066 | pbe | true | 346644017b9aa8379bf0591b204c64a5_10_Nd1Tm2Pa1Se4 |
[
"Cd",
"Co",
"P"
] | 4 | A2BC | Cd2CoP | Cd2 Co1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.96680275,
0.169878,
-0.39499331
],
[
-2.12238423,
4.49371486,
-0.39499331
],
[
0.22049146,
0.36150883,
2.96328609
]
] | agm004102209 | [
[
0,
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0
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[
1.42220926,
2.33179643,
-0.39499331
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[
2.593647105,
0.265693415,
1.28414639
],
[
-0.9509463850000001,
2.427611845,
1.28414639
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "P", "attached":... | [
"Cd",
"Cd",
"Co",
"P"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.6814446,
0.06885588,
0.26677784
],
[
0.06885588,
5.7523413,
0.4373981
],
[
0.266778,
0.4373983,
5.506737
]
] | -12.632534 | [
-0.028,
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1.415,
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] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.249692 | 3.511583 | pbe | true | 14165ae3ac1368c323458e8779e27e26_65_Cd2Co1P1 |
[
"K",
"Li",
"Mn",
"O"
] | 20 | A2BCD | KLiMnO2 | K4 Li4 Mn4 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.43252348,
0.0385287,
0.00000361
],
[
0.16506574,
6.43052908,
0.00000254
],
[
-0.00002428,
-8.4e-7,
7.00914886
]
] | agm003226018 | [
[
0.08256483908448439,
3.2152396562752577,
0.0000166200444001
],
[
3.3813609446359645,
6.449778173736783,
3.504579475934728
],
[
6.5975673192369415,
6.4690496954350225,
1.752293785537086
],
[
6.59754561090725,
6.469029800912666,
5.256860435369091
],
[
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "K", "attached":... | [
"K",
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"Mn",
"Mn",
"Mn",
"Mn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.4
] | [
[
0.6029798,
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[
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