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{
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"results": [
{
"id": "mp-776575",
"created_at": "2022-09-04T14:46:04.404898Z",
"structure_string": "Ba6 Tm12 O24\n1.0\n3.057057 5.174882 0.000000\n-3.057057 5.174882 0.000000\n0.000000 0.157541 21.798457\nBa Tm O\n6 12 24\ndirect\n0.446899 0.225139 0.643908 Ba\n0.225139 0.446899 0.143908 Ba\n0.110869 0.889131 0.750000 Ba\n0.889131 0.110869 0.250000 Ba\n0.553101 0.774861 0.356092 Ba\n0.774861 0.553101 0.856092 Ba\n0.443154 0.218811 0.805728 Tm\n0.218811 0.443154 0.305728 Tm\n0.455262 0.215709 0.947701 Tm\n0.215709 0.455262 0.447701 Tm\n0.114096 0.877493 0.929376 Tm\n0.877493 0.114096 0.429376 Tm\n0.122507 0.885904 0.570624 Tm\n0.885904 0.122507 0.070624 Tm\n0.784291 0.544738 0.552299 Tm\n0.544738 0.784291 0.052299 Tm\n0.781189 0.556846 0.694272 Tm\n0.556846 0.781189 0.194272 Tm\n0.206681 0.092453 0.002906 O\n0.092453 0.206681 0.502906 O\n0.343591 0.995943 0.875577 O\n0.995943 0.343591 0.375577 O\n0.337126 0.104705 0.251940 O\n0.104705 0.337126 0.751940 O\n0.232045 0.527799 0.880544 O\n0.527799 0.232045 0.380544 O\n0.770988 0.110449 0.876466 O\n0.110449 0.770988 0.376466 O\n0.545751 0.454249 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.454249 0.545751 0.250000 O\n0.889551 0.229012 0.623534 O\n0.229012 0.889551 0.123534 O\n0.472201 0.767955 0.619456 O\n0.767955 0.472201 0.119456 O\n0.662874 0.895295 0.748060 O\n0.895295 0.662874 0.248060 O\n0.004057 0.656409 0.624423 O\n0.656409 0.004057 0.124423 O\n0.793319 0.907547 0.997094 O\n0.907547 0.793319 0.497094 O\n",
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{
"id": "mp-1431697",
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"volume": 28.94281311816929,
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"formula_full": "Sb1 N1",
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},
{
"id": "mp-1189596",
"created_at": "2022-09-04T14:45:20.666511Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n2.262727 -8.372233 0.000000\n2.262727 8.372233 0.000000\n0.000000 0.000000 9.183209\nPr Zn Pb\n4 10 2\ndirect\n0.204928 0.795072 0.250000 Pr\n0.795072 0.204928 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.814269 0.185731 0.391258 Zn\n0.185731 0.814269 0.608742 Zn\n0.814269 0.185731 0.108742 Zn\n0.185731 0.814269 0.891258 Zn\n0.658142 0.341858 0.485312 Zn\n0.341858 0.658142 0.514688 Zn\n0.658142 0.341858 0.014688 Zn\n0.341858 0.658142 0.985312 Zn\n0.391777 0.608223 0.250000 Zn\n0.608223 0.391777 0.750000 Zn\n0.553768 0.446232 0.250000 Pb\n0.446232 0.553768 0.750000 Pb\n",
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"formula_full": "Pr4 Zn10 Pb2",
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{
"id": "mp-606503",
"created_at": "2022-09-04T14:41:34.278904Z",
"structure_string": "Ca12 In4 Au12\n1.0\n4.631637 0.000000 0.000000\n0.000000 9.053684 0.000000\n0.000000 0.000000 16.795751\nCa In Au\n12 4 12\ndirect\n0.750000 0.025415 0.844679 Ca\n0.750000 0.474585 0.344679 Ca\n0.250000 0.974585 0.155321 Ca\n0.750000 0.250478 0.555482 Ca\n0.250000 0.750478 0.944518 Ca\n0.750000 0.249522 0.055482 Ca\n0.250000 0.130479 0.366414 Ca\n0.250000 0.749522 0.444518 Ca\n0.750000 0.869521 0.633586 Ca\n0.750000 0.630479 0.133586 Ca\n0.250000 0.369521 0.866414 Ca\n0.250000 0.525415 0.655321 Ca\n0.750000 0.636258 0.793014 In\n0.250000 0.363742 0.206986 In\n0.250000 0.136258 0.706986 In\n0.750000 0.863742 0.293014 In\n0.750000 0.174083 0.238215 Au\n0.250000 0.466475 0.047536 Au\n0.750000 0.325917 0.738215 Au\n0.250000 0.085423 0.970215 Au\n0.250000 0.033525 0.547536 Au\n0.250000 0.825917 0.761785 Au\n0.750000 0.533525 0.952464 Au\n0.750000 0.585423 0.529785 Au\n0.750000 0.966475 0.452464 Au\n0.250000 0.674083 0.261785 Au\n0.250000 0.414577 0.470215 Au\n0.750000 0.914577 0.029785 Au\n",
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"density": 7.789408307576321,
"density_atomic": 0.03975564069762748,
"volume": 704.3025721296192,
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"formula_full": "Ca12 In4 Au12",
"formula_reduced": "Ca3InAu3",
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"energy": -95.42120896,
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"updated_at": "2021-11-28T01:35:23.176000Z",
"spacegroup": 62
},
{
"id": "mp-1183054",
"created_at": "2022-09-04T14:47:56.452882Z",
"structure_string": "Ac2 Ga1 Si1\n1.0\n0.000000 3.888966 3.888966\n3.888966 0.000000 3.888966\n3.888966 3.888966 0.000000\nAc Ga Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
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"density": 7.7894187033594156,
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"volume": 117.63388340349002,
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"formula_full": "Ac2 Ga1 Si1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:22.346000Z",
"spacegroup": 225
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{
"id": "mp-1104283",
"created_at": "2022-09-04T14:45:36.669590Z",
"structure_string": "Dy2 Fe8 Si4\n1.0\n7.095493 0.000000 0.000000\n0.000000 7.095493 0.000000\n0.000000 0.000000 3.743451\nDy Fe Si\n2 8 4\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.646736 0.914881 0.500000 Fe\n0.353264 0.085119 0.500000 Fe\n0.146736 0.585119 0.000000 Fe\n0.853264 0.414881 0.000000 Fe\n0.914881 0.646736 0.500000 Fe\n0.085119 0.353264 0.500000 Fe\n0.585119 0.146736 0.000000 Fe\n0.414881 0.853264 0.000000 Fe\n0.780797 0.219203 0.500000 Si\n0.219203 0.780797 0.500000 Si\n0.280797 0.280797 0.000000 Si\n0.719203 0.719203 0.000000 Si\n",
"nsites": 14,
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],
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"density": 7.789582222063214,
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"volume": 188.4678623329742,
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"formula_full": "Dy2 Fe8 Si4",
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{
"id": "mp-1220531",
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"structure_string": "Nd1 V2 Fe10\n1.0\n0.000000 0.000000 4.677052\n-4.290136 4.273849 2.338526\n-4.290136 -4.273849 -2.338526\nNd V Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.359564 0.359564 V\n0.000000 0.640436 0.640436 V\n0.729454 0.770546 0.229454 Fe\n0.270546 0.229454 0.770546 Fe\n0.500000 0.768263 0.768263 Fe\n0.500000 0.231737 0.231737 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640055 0.359945 0.640055 Fe\n0.359945 0.640055 0.359945 Fe\n",
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"volume": 171.51117724462145,
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"formula_full": "Nd1 V2 Fe10",
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{
"id": "mp-865874",
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"structure_string": "Li2 Ag1 Hg1\n1.0\n0.000000 3.250897 3.250897\n3.250897 0.000000 3.250897\n3.250897 3.250897 0.000000\nLi Ag Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Gd2 Ni2 Ge6\n1.0\n2.070199 -10.823014 0.000000\n2.070199 10.823014 0.000000\n0.000000 0.000000 4.127765\nGd Ni Ge\n2 2 6\ndirect\n0.168436 0.831564 0.500000 Gd\n0.831564 0.168436 0.500000 Gd\n0.389830 0.610170 0.000000 Ni\n0.610170 0.389830 0.000000 Ni\n0.283452 0.716548 0.000000 Ge\n0.716548 0.283452 0.000000 Ge\n0.442826 0.557174 0.500000 Ge\n0.557174 0.442826 0.500000 Ge\n0.057261 0.942739 0.000000 Ge\n0.942739 0.057261 0.000000 Ge\n",
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{
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"structure_string": "Sm1 Ga3 Ni1\n1.0\n-2.049280 2.049280 5.306912\n2.049280 -2.049280 5.306912\n2.049280 2.049280 -5.306912\nSm Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.617393 0.617393 0.000000 Ga\n0.382607 0.382607 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ni\n",
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{
"id": "mp-1188075",
"created_at": "2022-09-04T14:43:54.428865Z",
"structure_string": "Yb6 Te3 O18\n1.0\n4.373417 7.727781 0.000000\n-4.373417 7.727781 0.000000\n0.000000 0.150981 5.389355\nYb Te O\n6 3 18\ndirect\n0.600023 0.399977 0.000000 Yb\n0.394073 0.987125 0.992175 Yb\n0.012875 0.605927 0.007825 Yb\n0.272732 0.727268 0.500000 Yb\n0.747832 0.989778 0.493855 Yb\n0.010222 0.252168 0.506145 Yb\n0.999075 0.000925 0.000000 Te\n0.668956 0.657276 0.363053 Te\n0.342724 0.331044 0.636947 Te\n0.468156 0.708895 0.183849 O\n0.724809 0.808279 0.183314 O\n0.824469 0.450737 0.195968 O\n0.291105 0.531844 0.816151 O\n0.191721 0.275191 0.816686 O\n0.549263 0.175531 0.804032 O\n0.917621 0.573326 0.590815 O\n0.598906 0.593771 0.658760 O\n0.495272 0.931778 0.567023 O\n0.426674 0.082379 0.409185 O\n0.406229 0.401094 0.341240 O\n0.068222 0.504728 0.432977 O\n0.192982 0.945061 0.770173 O\n0.944392 0.859757 0.790142 O\n0.855321 0.198930 0.779342 O\n0.054939 0.807018 0.229827 O\n0.140243 0.055608 0.209858 O\n0.801070 0.144679 0.220658 O\n",
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{
"id": "mp-1206649",
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"structure_string": "Sm1 Co1 Ge3\n1.0\n4.289631 0.000000 0.000000\n0.000000 4.289631 0.000000\n-2.144815 -2.144815 4.948508\nSm Co Ge\n1 1 3\ndirect\n0.566276 0.566276 0.132552 Sm\n0.234175 0.234175 0.468350 Co\n0.326297 0.826297 0.652594 Ge\n0.826297 0.326297 0.652594 Ge\n0.004755 0.004755 0.009511 Ge\n",
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"Ge"
],
"chemical_system": "Co-Ge-Sm",
"density": 7.790756099134771,
"density_atomic": 0.05491055803184125,
"volume": 91.05716968129565,
"volume_molar": 10.967181860559336,
"formula_full": "Sm1 Co1 Ge3",
"formula_reduced": "SmCoGe3",
"formula_anonymous": "ABC3",
"energy": -28.4741441,
"energy_per_atom": -5.69482882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.4741441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.703000Z",
"spacegroup": 107
}
]
}