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,
0,
0
],
[
1.94974337,
1.94974337,
1.94974337
],
[
1.94974337,
1.94974337,
0
],
[
1.94974337,
0,
1.94974337
],
[
0,
1.94974337,
1.94974337
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Ho",
"Ge",
"O",
"O",
"O"
] | 2023-02-18 03:30:47 | [
0.2,
0.2,
0.6
] | [
[
-0.11386485,
0,
0
],
[
0,
-0.11386485,
0
],
[
0,
0,
-0.11386485
]
] | -33.779215 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
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
],
[
-0.14874098,
4.0146144,
-0.77301287
],
[
-0.04294746,
-0.04456852,
10.60249391
]
] | agm005868896 | [
[
0,
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0
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[
2.593967552635507,
2.691853492907507,
2.6552248652122192
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[
1.2317126773644929,
1.2781923870924938,
6.401243304787781
],
[
0.3173822152094203,
2.413843021725083,
1.6494426090405536
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[
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3.5635100582749173,
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[
2.40043704020942,
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[
1.934313845,
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[
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[
0.8713127024999999,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ho",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.7
] | [
[
7.612178,
-0.01258447,
-0.06302687
],
[
-0.01258447,
7.611246,
-0.06540553
],
[
-0.06302687,
-0.06540553,
7.296753
]
] | -56.709815 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
9.6e-7,
9.9e-7,
0.00000497
],
[
-9.6e-7,
-9.9e-7,
-0.00000497
],
[
-0.00038776,
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],
[
0.00038776,
0.0004024,
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[
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[
0,
0,
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[
0,
0,
0
],
[
0.00038776,
0.0004024,
0.00201521
],
[
0,
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,
-2.02135736,
4.62233119
]
] | agm005022226 | [
[
0,
0,
0
],
[
2.021357383993378,
2.0213573864337686,
1.1280293123929694
],
[
-2.399337831326865e-8,
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3.4943018776070303
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[
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2.0213573675000003,
2.311165595
],
[
2.0213573625,
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2.311165595
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Li",
"P",
"P",
"Ir",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.2674525,
0,
0
],
[
0,
3.2674525,
0
],
[
0,
0,
3.165341
]
] | -35.373316 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00893421
],
[
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 | [
[
1.949041145,
1.949041145,
1.949041145
],
[
5.847123435,
5.847123435,
5.847123435
],
[
3.89808229,
3.89808229,
3.89808229
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"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,
1.912822
]
] | -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,
1.612459999999999,
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Nb",
"Pu",
"Zn"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
22.67391,
0,
0
],
[
0,
22.67391,
0
],
[
0,
0,
22.67391
]
] | -23.651 | [
0.199,
5.103,
0.01
] | [
[
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,
-2.02345859,
5.05642793
]
] | agm005018438 | [
[
-2.4999999848063226e-9,
2.0234585975000003,
2.528213965
],
[
0,
0,
0
],
[
2.0234586140505533,
2.023458616418618,
1.1973949500412657
],
[
-2.4050553653490453e-8,
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3.859032979958734
],
[
2.0234585925,
2.4999999848063226e-9,
2.528213965
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"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
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00484632
],
[
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,
5.032021362324722,
1.8837671492861925
],
[
5.168145798463511,
2.661735005422917,
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[
2.5946572534545664,
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3.8862375430965916
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[
5.163281657825653,
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[
2.5964937793241445,
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[
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[
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[
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[
1.476678057599665,
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3.283759992476475
],
[
2.093716491468452,
5.32225031876009,
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],
[
3.280313530109069,
0.0792850591178465,
1.8523289081161842
],
[
3.6221275939563373,
1.5837247269809887,
4.050290498477934
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[
3.6253992026348336,
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[
4.135244855731521,
4.247791681721971,
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[
4.103768642826913,
4.269437768055764,
4.0673798513436346
],
[
4.682630120391449,
2.904340531335889,
1.8286967408055366
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"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,
0.7058823529411765
] | [
[
0.18932195,
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[
0.06720649,
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-0.15539784
],
[
0.17057169,
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0.78230746
]
] | -113.88265 | [
0.001,
-0.038,
-0.058,
0.587,
0.037,
0.055,
0.029,
0.083,
-0.007,
0.067,
0.034,
-0.005,
0.057,
0.007,
0.036,
0.091,
0.107
] | [
[
0.01109083,
0.0141484,
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],
[
-0.00097904,
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],
[
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[
0.00045593,
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[
-0.00016151,
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0.02983859
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[
0.00433101,
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],
[
0.02712095,
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],
[
-0.00368682,
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[
0.01449951,
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],
[
0.00016838,
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[
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],
[
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[
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[
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[
0.01933331,
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[
-0.00133394,
-0.00013465,
0.00817139
],
[
-0.00618358,
0.01425529,
0.01661147
]
] | 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,
1.1346337753203286,
2.5721644380096946
],
[
-2.298576710694357e-8,
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Ni",
"Si",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-3.4310555,
0,
0
],
[
0,
-3.4310555,
0
],
[
0,
0,
-3.2612054
]
] | -20.065661 | [
0,
0,
0
] | [
[
0,
0,
-0.0019262
],
[
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,
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5.2187445
]
] | agm005019021 | [
[
0,
0,
0
],
[
1.9699249325000001,
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2.60937225
],
[
1.9699249141492614,
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1.201865846799105
],
[
1.585073896917107e-8,
1.585073896917107e-8,
4.016878653200894
],
[
-2.4999999848063226e-9,
1.9699249325000001,
2.60937225
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"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,
-0.051,
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 | [
[
3.22830748,
3.22830748,
3.22830748
],
[
0,
3.22830748,
0
],
[
0,
0,
3.22830748
],
[
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Rb",
"Ba",
"Ba",
"Ba",
"Pt"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.7231844,
0,
0
],
[
0,
0.7231844,
0
],
[
0,
0,
0.7231844
]
] | -14.512018 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
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,
-2.63044464,
3.08828016
]
] | agm004229335 | [
[
2.9466840574999997,
0.00010495500000007318,
1.54414008
],
[
0,
0,
0
],
[
1.3282521524999997,
2.630340885,
1.54414008
],
[
4.274935235,
2.63044524,
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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"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,
2.47335581
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"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,
2.0999865074999997,
2.432781495
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"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,
14.501433973291382
],
[
-1.6185705923249676,
0.0026589831052124453,
13.148603581195799
],
[
0.8115880430810595,
1.4003937584717336,
13.148603581195797
],
[
-0.8069825492439084,
1.4030527415769463,
4.157988388804202
],
[
-0.8115880430810593,
-1.400393758471734,
4.157988388804202
],
[
1.6185705923249676,
-0.002658983105212207,
4.157988388804202
],
[
0.8069825492439081,
-1.403052741576946,
13.148603581195797
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"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
],
[
-0.00237698,
-0.00158196,
-0.0053161
],
[
0.00255851,
-0.00126755,
-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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"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,
2.851835553407409,
2.851835553407409
],
[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Ba",
"Zn",
"Zn",
"Zn",
"Zn",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
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0
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[
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[
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] | -14.684302 | [
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[
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0
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] | -0.000001 | 3.443016 | pbe | true | 7fcf3d7989d14ed2bd5cd8a5a5e9e689_216_Ba1Zn4Rh1 |
[
"Fe",
"Ga",
"Sc"
] | 12 | ABC | FeGaSc | Fe1 Ga1 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
3.804520224,
0
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[
0,
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] | oqmd-6227788 | [
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[
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Fe",
"Fe",
"Fe",
"Fe",
"Ga",
"Ga",
"Ga",
"Ga",
"Sc",
"Sc",
"Sc",
"Sc"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
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0.3333333333333333
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[
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[
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] | -74.1456 | [
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1.023,
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-0.027,
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[
0.265302,
0,
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[
0.265302,
0,
0.099286
]
] | 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
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[
2.144282471,
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[
2.144282471,
4.313635489,
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] | oqmd-6457634 | [
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[
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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": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Ir",
"Nd",
"Nd",
"Ni",
"Zn"
] | 2024-11-01 00:00:00 | [
0.2,
0.4,
0.2,
0.2
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[
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[
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[
0,
0,
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[
0,
0,
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]
] | -0.000271 | 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,
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] | agm003860331 | [
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[
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[
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Cd",
"Cd",
"Cl",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0
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[
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0
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[
0,
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] | -7.959094 | [
0,
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[
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[
0,
0,
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[
0,
0,
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]
] | 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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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Th",
"Pm"
] | 2023-11-16 06:57:59 | [
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[
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[
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0
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[
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0,
0
]
] | 0.000226 | 6.925685 | pbe | true | 6208e8bfe92669be8b61fbed19df19c4_187_Pm1Y1Th1 |
[
"Fe",
"Ir",
"Mo"
] | 3 | ABC | FeIrMo | Fe1 Mo1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
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0.01082894,
0
],
[
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0
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[
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],
[
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"Fe",
"Ir",
"Mo"
] | 2023-11-16 06:57:59 | [
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[
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] | -28.032427 | [
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[
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0
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[
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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 | [
[
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0,
0
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[
0,
4.08219053,
0
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[
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[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Nd",
"Ti",
"Zn",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
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0.2,
0.2
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0
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[
0,
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[
0,
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] | -34.829875 | [
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[
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[
0,
0,
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[
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0,
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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,
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] | agm005907839 | [
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[
0,
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[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
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"Pr",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Sc"
] | 2023-11-16 06:57:59 | [
0.1875,
0.0625,
0.75
] | [
[
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0
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[
0,
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[
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] | -73.755332 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 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
],
[
0,
6.86000153,
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[
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] | agm005010418 | [
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"Sc",
"Sc",
"Pa",
"Pa",
"Se",
"Se",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
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] | [
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[
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[
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] | -89.433188 | [
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] | 0 | 0 | pbe | true | e1eb7dc0ebbb918318e5232e268b8d07_11_Sc2Pa2Se2N4 |
[
"Ir",
"Ni",
"O",
"Sr"
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1,
1,
1
] | 3 | [
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"O",
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"O",
"O",
"O",
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] | 9.950908 | 3.359688 | pbe | true | 89ffd82f94cd2ac68980871166b6c9c7_14_Sr4Ni2Ir2O12 |
[
"Pt",
"Rb",
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1,
1,
1
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"Sn",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 5.745362 | pbe | true | d225ba3f7d723419726e45d6434b127c_136_Rb2Sn8Pt4 |
[
"Ir",
"Ni",
"Pm",
"Si"
] | 5 | A2BCD | IrNiPmSi2 | Pm1 Si2 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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"Pm",
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] | 0.44111 | 3.883234 | pbe | true | 9540a12e281a43c5710789c082d1cdfc_119_Pm1Si2Ni1Ir1 |
[
"Ru",
"Sn",
"Yb"
] | 12 | A3B2C | RuSn3Yb2 | Yb4 Sn6 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}] | [
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"Ru",
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"Yb",
"Yb",
"Yb",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 3.639316 | pbe | true | 7b1151988269673a8b5d369059de62e9_194_Yb4Sn6Ru2 |
[
"Fe",
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"Te"
] | 3 | ABC | FeLiTe | Li1 Fe1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65103021,
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-1e-8
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[
2.19929219,
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[
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"Fe",
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] | 2023-11-16 06:57:59 | [
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] | 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,
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0
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[
1.6626808,
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[
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"Cd",
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"Co",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
0,
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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,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Pm",
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"Pu",
"Pu",
"Sb",
"Sb",
"Sb",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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0.18181818181818182,
0.2727272727272727
] | [
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0
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[
0,
0.24420144,
0
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[
0,
0,
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]
] | -87.829301 | [
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0.034,
0.034,
0.034,
5.239,
5.239,
-0.006,
-0.081,
-0.081,
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[
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[
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[
0,
0,
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[
0,
0,
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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 | [
[
4.50610952,
0,
0
],
[
0,
4.50610952,
0
],
[
-2.25305477,
-2.25305476,
5.64138521
]
] | agm005020796 | [
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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,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ni",
"Sn",
"Sn",
"Ir"
] | 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,
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0
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[
0,
0,
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] | -26.139462 | [
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0,
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[
0,
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[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 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
],
[
2.94036763,
5.09286612,
0
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[
2.94036763,
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4.80160022
]
] | agm002299635 | [
[
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[
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[
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[
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2.5253670304385545,
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Np",
"Sr",
"Sr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
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[
0,
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0
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[
0,
0,
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] | -78.455523 | [
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0.006,
0.006,
-0.17,
-0.036,
-0.036,
-0.036,
-0.036,
-0.036,
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[
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[
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[
0,
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[
0.00088039,
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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
],
[
2.44468154,
1.41143754,
3.99214823
]
] | agm004204762 | [
[
4.8893630749999994,
2.8228750849999997,
1.996074115
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[
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4.2343126275,
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[
0,
0,
0
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[
2.4446815374999997,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Li",
"Pt",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
1.8295476,
0
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[
0,
0,
1.8295476
]
] | -22.365738 | [
0,
0,
0,
0
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -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
],
[
0,
0,
7.19100661
]
] | agm003182469 | [
[
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1.7977516525
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[
0,
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[
0,
0,
3.5916018962738105
],
[
1.40751341,
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5.3932549575
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Pt",
"Pt",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
5.5359545,
0
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[
0,
0,
5.7218285
]
] | -17.439561 | [
0,
0,
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0
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[
0,
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0
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[
0,
0,
-0.00157525
],
[
0,
0,
0.00157525
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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,
-0.91857122
],
[
0,
-4.76329718,
8.66891137
]
] | agm005001683 | [
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[
3.4082348025,
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[
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[
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[
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2.728691597211952
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[
3.4082348025,
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5.021648552788049
]
] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ac",
"Ac",
"Ac",
"Ac",
"Sn",
"Sn",
"Ir",
"Ir",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.8406053,
0,
0
],
[
0,
2.8463943,
0.09254012
],
[
0,
0.09254016,
2.7450607
]
] | -55.586456 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
0,
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[
0,
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[
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[
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[
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[
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[
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[
0,
-0.00476461,
-0.00197065
],
[
0,
0.00476461,
0.00197065
]
] | 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,
-2.05158469,
4.94192135
]
] | agm005018226 | [
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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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2.470960675
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[
2.0515846975,
2.4999999848063226e-9,
2.470960675
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Np",
"Si",
"Si",
"Ir",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0,
0
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[
0,
5.6527643,
0
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[
0,
0,
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]
] | -45.34357 | [
3.617,
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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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[
0,
0,
0
],
[
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,
-2.08452842,
4.8663465
]
] | agm005019082 | [
[
0,
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[
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[
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[
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2.43317325
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[
-2.5000002068509275e-9,
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Np",
"Si",
"Si",
"Tc",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
],
[
0,
4.8945165,
0
],
[
0,
0,
5.010423
]
] | -45.936827 | [
3.635,
-0.014,
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-0.199,
-0.066
] | [
[
0,
0,
0
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[
0,
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[
0,
0,
-0.0035062
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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,
1.71245163,
4.84354465
]
] | agm002366079 | [
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2.9660532325,
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1.2108861625
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[
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[
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[
4.40843696915783,
2.545212270730118,
3.665843258702331
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[
0,
0,
0
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"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,
0
],
[
0,
0.80125517,
0
],
[
0,
0,
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]
] | -77.088938 | [
0,
0,
0,
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0,
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0
] | [
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[
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[
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0
]
] | 0 | -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
],
[
3.04431555,
5.2729092,
0
],
[
3.04431555,
1.7576364,
4.97134647
]
] | agm004964193 | [
[
9.1329466425,
5.2729092,
3.7285098525
],
[
3.0443155475,
1.7576364,
1.2428366175
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[
6.088631095,
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2.485673235
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[
0,
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0
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[
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5.4585279072948,
3.859762099164323
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[
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4.4869003536474,
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[
4.405722806619592,
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[
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[
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1.1115843708356776
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[
7.771539383380408,
2.5436452463526,
3.859762099164323
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"Pr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
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0,
0
],
[
0,
0.7642446,
0
],
[
0,
0,
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]
] | -61.499425 | [
0,
0,
0,
0.001,
0,
0,
0,
0,
0,
0
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[
0,
0,
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[
0,
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[
0,
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0
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[
0,
0,
0
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[
0,
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[
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[
0,
-0.00413898,
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],
[
0.00358446,
-0.00206949,
0.0029267
]
] | 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
],
[
0,
5.89283515,
0
],
[
0,
0,
5.89283515
]
] | agm002621640 | [
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0,
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0,
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[
0,
0,
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[
2.946417575,
0,
0
],
[
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ru",
"Ba",
"Ba",
"Ba",
"V"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
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[
0,
0.99855226,
0
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[
0,
0,
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]
] | -20.352773 | [
0.064,
0.046,
0.046,
0.046,
3.146
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 4.891994 | 7.383292 | pbe | true | 52045c3870dd2e390261130649bc8f18_221_Ba3V1Ru1 |
[
"Ir",
"O",
"Rb",
"Y"
] | 10 | A6B2CD | IrO6Rb2Y | Rb2 Y1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.94908599,
0,
0
],
[
2.97454299,
5.15205959,
0
],
[
2.97454299,
1.7173532,
4.85740837
]
] | agm004963924 | [
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[
2.9745429925,
1.7173531975,
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[
7.559768832237295,
2.5047782216690697,
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] | [{"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": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Rb",
"Rb",
"Y",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
0.7240224,
0,
0
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[
0,
0.7240224,
0
],
[
0,
0,
0.7240224
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] | -63.603354 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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0,
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[
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[
0,
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[
0,
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[
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[
0,
0.00021248,
0.00015024
],
[
-0.00018401,
0.00010624,
-0.00015024
]
] | 0.000195 | 5.953839 | pbe | true | 0aad2d24b5270f367ec65687e69437e9_225_Rb2Y1Ir1O6 |
[
"Ba",
"Sc",
"Te"
] | 4 | A2BC | BaSc2Te | Ba1 Sc2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
2.23042613,
0,
10.52493375
],
[
-1.11521307,
1.93160569,
10.52493375
],
[
-1.11521307,
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10.52493375
]
] | agm002783134 | [
[
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[
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[
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15.787400625
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[
0,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Te",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.543738,
0,
0
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[
0,
2.543738,
0
],
[
0,
0,
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] | -18.329259 | [
0.036,
0.036,
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0.114
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[
0,
0,
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[
0,
0,
0.03084436
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.417814 | 5.223161 | pbe | true | 7827612925ba996b7c1108fefa482f78_166_Ba1Sc2Te1 |
[
"Ir",
"O",
"Sr",
"Th"
] | 10 | A6B2CD | IrO6Sr2Th | Sr2 Th1 Ir1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
6.01712273,
0,
0
],
[
3.00856137,
5.21098114,
0
],
[
3.00856137,
1.73699372,
4.91296013
]
] | agm002366080 | [
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3.0085613674999996,
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1.2282400325
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[
9.0256841025,
5.210981145,
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[
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0
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6.017122737647904,
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3.757384890395556
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[
6.017122734999999,
3.47398743,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O",
"Th"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
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0
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[
0,
0.6497687,
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[
0,
0,
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] | -73.616357 | [
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0,
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[
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[
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[
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[
0,
0,
0
]
] | -0.001523 | 6.186151 | pbe | true | 49da8b274d7d595d628a81a3725c8c75_225_Sr2Th1Ir1O6 |
[
"Fe",
"O",
"Ti"
] | 24 | A4BC | FeO4Ti | Fe4 O16 Ti4 | 3 | [
1,
1,
1
] | 3 | [
[
1.43306612,
-2.29133886,
2.70259128
],
[
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[
2.84673073,
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]
] | mp-1290888 | [
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
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"Ti",
"Ti",
"Fe",
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"Fe",
"Fe",
"O",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2020-04-28 22:39:06 | [
0.16666666666666666,
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[
-0.00523742,
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]
] | 1.984 | 1.58783 | pbe | true | 1d5903557242fe8838b7d4c9b5933fc0_31_Ti4Fe4O16 |
[
"N",
"Pm",
"Th",
"W"
] | 18 | A5B2CD | N5PmTh2W | Pm2 Th4 W2 N10 | 4 | [
1,
1,
1
] | 3 | [
[
5.92915024,
0,
0
],
[
0,
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0
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[
0,
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] | agm005146901 | [
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[
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[
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1,
1,
1
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] | 0.000004 | 3.403205 | pbe | true | b92ab6ad7909f8ca1a2147c4c3bfee7e_119_Pa1Si2Ir1Os1 |
[
"Cd",
"Ni",
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] | 5 | A3BC | CdNiTi3 | Ti3 Cd1 Ni1 | 3 | [
1,
1,
1
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[
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0,
0
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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": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ni",
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] | 2023-11-16 06:57:59 | [
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] | 4.177542 | 13.671427 | pbe | true | fe838dc5dcd1600a3dc55166b0c6d7f8_221_Ti3Cd1Ni1 |
[
"Fe",
"Re",
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] | 4 | A2BC | FeRe2Ru | Fe1 Re2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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"Fe",
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"Re",
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] | 2023-11-16 06:57:59 | [
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] | 1.027262 | 4.432019 | pbe | true | b54cb0c17883c23cf485e47afdfbf503_123_Fe1Re2Ru1 |
[
"Fe",
"Re",
"Tl"
] | 4 | A2BC | FeReTl2 | Tl2 Fe1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "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"]}] | [
"Fe",
"Re",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
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0.5
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[
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[
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[
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] | -21.468281 | [
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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
]
] | 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
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[
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] | agm005022491 | [
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Pr",
"Tc",
"P",
"P",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0
],
[
0,
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[
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] | -39.518367 | [
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[
0,
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[
0,
0,
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[
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
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[
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] | agm005007234 | [
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0
],
[
1.9795449035950194,
1.9795449035950194,
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[
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4.30369044863423
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[
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2.992814315
],
[
1.9795449025,
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2.992814315
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"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,
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[
0,
0,
0.00373375
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[
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,
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2.41472331
]
] | agm004238070 | [
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[
3.8627222274896087,
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Fe",
"Rh",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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[
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[
-0.10923651,
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] | -16.998236 | [
2.86,
0.452,
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[
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0
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[
-0.00228645,
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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
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[
0,
0,
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] | agm004749043 | [
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[
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[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"P",
"P",
"Ir",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.3333333333333333,
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[
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[
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0
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[
0,
0,
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] | -42.332644 | [
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[
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[
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[
0,
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0
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[
0,
0,
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],
[
0,
0,
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]
] | 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
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[
0,
0,
5.47714484
]
] | agm004747794 | [
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0,
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[
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[
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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": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pa",
"Si",
"Si",
"Ir",
"Ir",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
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[
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] | -44.954552 | [
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[
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[
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.001241 | 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
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[
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] | agm005019008 | [
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0,
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[
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[
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[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pa",
"Si",
"Si",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
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[
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[
0,
4.08234,
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[
0,
0,
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] | -41.456886 | [
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0,
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000003 | 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
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[
0,
0,
15.50294737
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] | agm2000009933 | [
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[
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[
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] | [{"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
] | [
[
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0
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[
-1e-8,
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[
0,
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] | -23.314337 | [
0,
0,
0,
0,
0,
0
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[
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[
-0.000039,
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[
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 | [
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[
0,
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[
0,
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0
],
[
2.001280615,
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"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,
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-0.009
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -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
],
[
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]
] | agm005003887 | [
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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": "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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Pm",
"Zn",
"Zn",
"Sn",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0,
0
],
[
0,
3.139002,
0
],
[
0,
0,
3.067062
]
] | -21.953715 | [
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
-0.00108036
]
] | 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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0
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[
0,
0,
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] | agm004883211 | [
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Na",
"P",
"P",
"Pd",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.16666666666666666,
0.08333333333333333,
0.6666666666666666
] | [
[
0.7804411,
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0
],
[
-3.8e-7,
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0
],
[
0,
0,
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]
] | -52.274118 | [
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0,
0,
0,
0.009,
0.003,
0.003,
0.009,
0.003,
0.003,
0.003,
0.003
] | [
[
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[
0,
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[
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[
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[
0.00320627,
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-0.00562825
],
[
-0.00320627,
-0.00139814,
0.00562825
]
] | 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
],
[
0,
4.06013525,
0
],
[
-2.03006762,
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5.77418641
]
] | agm005017536 | [
[
0,
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0
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[
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[
2.4999999848063226e-9,
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[
3.876063125466371e-9,
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4.476222175264494
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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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Pm",
"Ti",
"Zn",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
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[
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[
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] | -34.857818 | [
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[
0,
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0,
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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 | [
[
4.12126541,
0,
0
],
[
0,
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0
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pr",
"Si",
"Si",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
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0.2,
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[
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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,
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0
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[
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"Pr",
"Zn",
"Zn",
"Sn",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.4
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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,
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0
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[
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"Cd",
"Os",
"Os",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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0,
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] | 0 | 4.036121 | pbe | true | d927dab90ad9304724ad418cea3d7b5b_225_Ta1Cd1Os2 |
[
"Ir",
"Pt",
"S",
"U"
] | 20 | A12B4C3D | Ir3Pt4S12U | U1 Ir3 Pt4 S12 | 4 | [
1,
1,
1
] | 3 | [
[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.15,
0.2,
0.6,
0.05
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[
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[
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0.053,
0.053,
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[
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[
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0
]
] | -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
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[
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[
1.23641234,
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] | agm004565922 | [
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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": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Rb",
"Rb",
"Na",
"Na",
"Na",
"Na",
"Zn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
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0.2222222222222222,
0.1111111111111111
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[
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[
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] | -17.253408 | [
0,
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0,
0,
0,
0,
0,
0
] | [
[
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[
0.0034108,
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]
] | -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,
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0
],
[
2.98982746,
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] | agm002229908 | [
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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": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"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
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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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[
0.00327354,
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[
0,
0,
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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14.739315496033804
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"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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[
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8.341691,
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[
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] | -91.271488 | [
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[
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[
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[
0,
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[
0,
0,
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] | -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
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[
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[
2.0478939775000002,
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Sm",
"Si",
"Si",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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[
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[
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[
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[
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[
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[
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
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[
0,
0,
5.84843605
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] | agm003955123 | [
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[
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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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Te",
"Os",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
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0
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[
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] | -13.584285 | [
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[
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0
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[
0,
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[
0,
0,
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]
] | 0.000078 | 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
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[
0,
4.87532417,
0
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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": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ba",
"In",
"In",
"Ga",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
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[
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[
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] | -12.532356 | [
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[
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[
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[
0,
0,
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[
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 | [
[
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0,
0
],
[
0,
4.47503481,
0
],
[
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] | agm005010646 | [
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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": "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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sn",
"Sn",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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0
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[
0,
4.522358,
0
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[
0,
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] | -28.480636 | [
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 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
],
[
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[
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Tb",
"Si",
"Si",
"Ir",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
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0
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[
0,
4.57246,
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[
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0,
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] | -38.769091 | [
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0,
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0
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000001 | 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,
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]
] | agm005017537 | [
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0
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[
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[
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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": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Th",
"Ti",
"Zn",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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0
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[
0,
2.3463187,
0
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[
0,
0,
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] | -37.855418 | [
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[
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[
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[
0,
0,
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[
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
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[
0,
0,
11.53646917
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] | agm005174772 | [
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[
0,
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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": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Nd",
"Nd",
"Tm",
"Pa",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
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0.5555555555555556,
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[
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[
0,
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] | -45.771563 | [
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[
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[
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[
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[
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[
0,
0,
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],
[
0,
0,
0.00173939
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[
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 | [
[
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[
2.38392371,
0,
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[
0,
0,
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[
0,
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0
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Gd",
"Ga",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
1.2739727,
0
],
[
0,
0,
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] | -27.55548 | [
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0.115,
0.115
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[
0,
0,
0
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[
0,
0,
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[
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,
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[
0,
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] | agm005010578 | [
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[
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[
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] | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
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[
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[
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[
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[
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0
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[
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0,
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] | oqmd-5274484 | [
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[
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[
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"Cd",
"P",
"Pr",
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"Pr"
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[
0,
4.45256944,
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[
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[
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[
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] | 0.015871 | null | pbe | true | 4ee2824d56efb58138604ceabc49b495_221_Pr3Cd1P1 |
[
"Be",
"Br",
"Fe"
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1,
1,
1
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[
5.1107097,
0,
0
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[
0,
5.1107097,
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[
0,
0,
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"Be",
"Fe",
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[
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[
0,
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0,
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] | 4.877117 | 4.633172 | pbe | true | 17d0f41fef70e6da8ea31d02a8228ed0_221_Be1Fe1Br3 |
[
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1,
1,
1
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[
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0,
0
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[
0,
3.9386442,
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[
0,
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"Be",
"Be",
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[
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[
0,
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[
0,
0,
0
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] | 0 | 1.674698 | pbe | true | 9747f9ece73e60518bbd58af88ed9d81_10_Be2In1Br1 |
[
"Nd",
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1,
1,
1
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[
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] | 0.942583 | 7.093066 | pbe | true | 346644017b9aa8379bf0591b204c64a5_10_Nd1Tm2Pa1Se4 |
[
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1,
1,
1
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[
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1,
1
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[
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0.3,
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0.4
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0.199,
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0.22
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[
"Cd",
"Co",
"Pa"
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1,
1,
1
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0,
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[
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0
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[
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] | 0.0001 | null | pbe | true | 6f64f2c1968edbc467407ff8971506a2_216_Pa1Cd1Co1 |
[
"Cd",
"Cr",
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] | 8 | A2BC | Cd2CrCu | Cr2 Cd4 Cu2 | 3 | [
1,
1,
1
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0
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[
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[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
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"Cr",
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"Cu",
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0.25
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[
0,
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[
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0.009,
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[
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] | 8.213793 | 5.308787 | pbe | true | 8c0190b18a1d1013edeadf8796c36fef_122_Cr2Cd4Cu2 |