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{
"id": "mp-30332",
"created_at": "2022-09-04T14:44:10.704302Z",
"structure_string": "Ba2 Ag2 Bi2\n1.0\n2.916488 -5.051505 0.000000\n2.916488 5.051505 0.000000\n0.000000 0.000000 7.040773\nBa Ag Bi\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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"volume": 207.4585409819577,
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{
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{
"id": "mp-1094191",
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"structure_string": "Mg2 Zn4\n1.0\n1.485439 -7.604798 0.000000\n1.485439 7.604798 0.000000\n0.000000 0.000000 4.616463\nMg Zn\n2 4\ndirect\n0.104774 0.895226 0.500000 Mg\n0.784136 0.215864 0.500000 Mg\n0.993926 0.006074 0.000000 Zn\n0.339391 0.660609 0.000000 Zn\n0.667635 0.332365 0.000000 Zn\n0.443470 0.556530 0.500000 Zn\n",
"nsites": 6,
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"density": 4.93939125742219,
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"volume": 104.29941189255935,
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"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:24.785000Z",
"spacegroup": 38
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{
"id": "mp-30435",
"created_at": "2022-09-04T14:44:06.317243Z",
"structure_string": "Ba2 Zn4\n1.0\n-2.523072 3.932957 4.075572\n2.523072 -3.932957 4.075572\n2.523072 3.932957 -4.075572\nBa Zn\n2 4\ndirect\n0.307378 0.750000 0.557378 Ba\n0.692622 0.250000 0.442622 Ba\n0.082565 0.922437 0.160129 Zn\n0.917435 0.077563 0.839871 Zn\n0.262308 0.422437 0.839871 Zn\n0.737692 0.577563 0.160129 Zn\n",
"nsites": 6,
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"density": 5.504924829192407,
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"volume": 161.76978317750397,
"volume_molar": 16.236673416826815,
"formula_full": "Ba2 Zn4",
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"updated_at": "2021-11-28T01:36:28.066000Z",
"spacegroup": 74
},
{
"id": "mp-1228405",
"created_at": "2022-09-04T14:43:57.870446Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n2.472447 5.668792 0.000000\n-2.472447 5.668792 0.000000\n0.000000 5.405607 5.703402\nBa Al Ga\n2 1 3\ndirect\n0.250079 0.250079 0.190717 Ba\n0.749381 0.749381 0.809441 Ba\n0.423068 0.423068 0.417159 Al\n0.576149 0.576149 0.582666 Ga\n0.923882 0.923882 0.236689 Ga\n0.077441 0.077441 0.763327 Ga\n",
"nsites": 6,
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"elements": [
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"Al",
"Ga"
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"chemical_system": "Al-Ba-Ga",
"density": 5.305451549233519,
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"volume": 159.87534404388802,
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"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy": -19.06656339,
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"updated_at": "2021-11-28T01:36:16.734000Z",
"spacegroup": 8
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{
"id": "mp-11284",
"created_at": "2022-09-04T14:44:18.061663Z",
"structure_string": "Ca2 Ga4\n1.0\n2.252954 -3.902231 0.000000\n2.252954 3.902231 0.000000\n0.000000 0.000000 7.388222\nCa Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.042370 Ga\n0.666667 0.333333 0.542370 Ga\n0.666667 0.333333 0.957630 Ga\n0.333333 0.666667 0.457630 Ga\n",
"nsites": 6,
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"Ga"
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"density": 4.589510606919424,
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"volume": 129.90780103780773,
"volume_molar": 13.038717727862538,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy": -19.23766585,
"energy_per_atom": -3.2062776416666665,
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"updated_at": "2021-11-28T01:36:32.736000Z",
"spacegroup": 194
},
{
"id": "mp-1019272",
"created_at": "2022-09-04T14:44:00.885492Z",
"structure_string": "Ta2 N4\n1.0\n1.535079 -2.658835 0.000000\n1.535079 2.658835 0.000000\n0.000000 0.000000 7.769893\nTa N\n2 4\ndirect\n0.666667 0.333333 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.000000 0.000000 0.409216 N\n0.000000 0.000000 0.590784 N\n0.000000 0.000000 0.909216 N\n0.000000 0.000000 0.090784 N\n",
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"N"
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"density": 10.941522597320967,
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"volume": 63.42597490621668,
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"formula_full": "Ta2 N4",
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"spacegroup": 194
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{
"id": "mp-1039381",
"created_at": "2022-09-04T14:44:10.587854Z",
"structure_string": "Ce2 Mg4\n1.0\n1.592758 -8.886123 0.000000\n1.592758 8.886123 0.000000\n0.000000 0.000000 5.537607\nCe Mg\n2 4\ndirect\n0.110322 0.889678 0.250000 Ce\n0.889678 0.110322 0.750000 Ce\n0.443899 0.556101 0.250000 Mg\n0.780876 0.219124 0.250000 Mg\n0.219124 0.780876 0.750000 Mg\n0.556101 0.443899 0.750000 Mg\n",
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"volume": 156.75241556877495,
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"formula_full": "Ce2 Mg4",
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{
"id": "mp-1207038",
"created_at": "2022-09-04T14:44:10.903947Z",
"structure_string": "U2 Sn4\n1.0\n2.220793 -7.406735 0.000000\n2.220793 7.406735 0.000000\n0.000000 0.000000 4.654328\nU Sn\n2 4\ndirect\n0.846314 0.153686 0.500000 U\n0.153686 0.846314 0.500000 U\n0.677471 0.322529 0.000000 Sn\n0.322529 0.677471 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"density": 10.312431609662413,
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"volume": 153.11645577123633,
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"formula_full": "U2 Sn4",
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"updated_at": "2021-11-28T01:36:29.205000Z",
"spacegroup": 65
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{
"id": "mp-1219969",
"created_at": "2022-09-04T14:44:06.296416Z",
"structure_string": "Pa1 In1 O4\n1.0\n3.799804 0.000000 0.000000\n0.000000 3.799804 0.000000\n0.000000 0.000000 5.293759\nPa In O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.745182 O\n0.000000 0.500000 0.254818 O\n0.500000 0.000000 0.254818 O\n0.000000 0.500000 0.745182 O\n",
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{
"id": "mp-1221896",
"created_at": "2022-09-04T14:44:00.481798Z",
"structure_string": "Mn2 Cu1 Sb2 Pt1\n1.0\n7.259831 -2.191772 0.000000\n7.259831 2.191772 0.000000\n6.598126 0.000000 3.738147\nMn Cu Sb Pt\n2 1 2 1\ndirect\n0.750468 0.750468 0.750468 Mn\n0.249373 0.249373 0.249373 Mn\n0.124613 0.124613 0.124613 Cu\n0.002237 0.002237 0.002237 Sb\n0.497971 0.497971 0.497971 Sb\n0.625338 0.625338 0.625338 Pt\n",
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"formula_full": "Mn2 Cu1 Sb2 Pt1",
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{
"id": "mp-1014261",
"created_at": "2022-09-04T14:44:11.883743Z",
"structure_string": "Ir2 O4\n1.0\n-1.962624 1.962624 4.890292\n1.962624 -1.962624 4.890292\n1.962624 1.962624 -4.890292\nIr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.959604 0.459604 0.500000 O\n0.209604 0.209604 0.000000 O\n0.540396 0.040396 0.500000 O\n0.790396 0.790396 0.000000 O\n",
"nsites": 6,
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"volume": 75.34752541373811,
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"formula_full": "Ir2 O4",
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"formula_anonymous": "AB2",
"energy": -43.4546869,
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"updated_at": "2021-11-28T01:36:32.516000Z",
"spacegroup": 141
}
]
}