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{
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"results": [
{
"id": "mp-29342",
"created_at": "2022-09-04T14:47:06.257894Z",
"structure_string": "Ca3 P1 Cl3\n1.0\n5.713182 0.000000 0.000000\n0.000000 5.713182 0.000000\n0.000000 0.000000 5.713182\nCa P Cl\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
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{
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"volume": 407.417400567011,
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"formula_full": "Rb2 In1 Sb1 Br6",
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{
"id": "mp-21889",
"created_at": "2022-09-04T14:42:42.697210Z",
"structure_string": "Th1 Ge2 Pt2\n1.0\n-2.207130 2.207130 5.005959\n2.207130 -2.207130 5.005959\n2.207130 2.207130 -5.005959\nTh Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.623529 0.623529 0.000000 Ge\n0.376471 0.376471 0.000000 Ge\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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"density": 13.065212752761525,
"density_atomic": 0.05125861848465841,
"volume": 97.54457197274033,
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"formula_full": "Th1 Ge2 Pt2",
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"updated_at": "2021-11-28T01:35:55.633000Z",
"spacegroup": 139
},
{
"id": "mp-865032",
"created_at": "2022-09-04T14:40:37.745297Z",
"structure_string": "Mn2 Pt1 Rh1\n1.0\n0.000000 3.087901 3.087901\n3.087901 0.000000 3.087901\n3.087901 3.087901 0.000000\nMn Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 58.887090893654985,
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"formula_full": "Mn2 Pt1 Rh1",
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"updated_at": "2021-11-28T01:35:04.371000Z",
"spacegroup": 225
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{
"id": "mp-20042",
"created_at": "2022-09-04T14:40:01.796219Z",
"structure_string": "Tl2 In2 S4\n1.0\n1.954260 -3.384878 0.000000\n1.954260 3.384878 0.000000\n0.000000 0.000000 15.031708\nTl In S\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.250000 Tl\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.903713 S\n0.666667 0.333333 0.403713 S\n0.333333 0.666667 0.596287 S\n0.666667 0.333333 0.096287 S\n",
"nsites": 8,
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"elements": [
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"S"
],
"chemical_system": "In-S-Tl",
"density": 6.4016169742772355,
"density_atomic": 0.040227801407320886,
"volume": 198.86744291583665,
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"formula_full": "Tl2 In2 S4",
"formula_reduced": "TlInS2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:51.678000Z",
"spacegroup": 194
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{
"id": "mp-1216158",
"created_at": "2022-09-04T14:48:21.377289Z",
"structure_string": "W1 C1 O2\n1.0\n3.883842 0.000000 0.000000\n0.000000 3.883842 0.000000\n0.000000 0.000000 4.223429\nW C O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 4,
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"elements": [
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"C",
"O"
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"density": 5.938939099985118,
"density_atomic": 0.06278728237286062,
"volume": 63.707168853815105,
"volume_molar": 9.59133845646906,
"formula_full": "W1 C1 O2",
"formula_reduced": "WCO2",
"formula_anonymous": "ABC2",
"energy": -32.88175067,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:56.614000Z",
"spacegroup": 123
},
{
"id": "mp-1185967",
"created_at": "2022-09-04T14:45:19.618278Z",
"structure_string": "Mg2 Si6\n1.0\n2.829657 -4.901109 0.000000\n2.829657 4.901109 0.000000\n0.000000 0.000000 4.717958\nMg Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.153092 0.306183 0.250000 Si\n0.153092 0.846908 0.250000 Si\n0.693817 0.846908 0.250000 Si\n0.306183 0.153092 0.750000 Si\n0.846908 0.153092 0.750000 Si\n0.846908 0.693817 0.750000 Si\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Si",
"density": 2.755133870999804,
"density_atomic": 0.06113328938726261,
"volume": 130.86159897796756,
"volume_molar": 9.85083711404991,
"formula_full": "Mg2 Si6",
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"formula_anonymous": "AB3",
"energy": -32.88051804,
"energy_per_atom": -4.110064755,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:55.554000Z",
"spacegroup": 194
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{
"id": "mp-567338",
"created_at": "2022-09-04T14:41:11.646258Z",
"structure_string": "Pr1 Si2 Pt2\n1.0\n-2.133053 2.133053 5.007742\n2.133053 -2.133053 5.007742\n2.133053 2.133053 -5.007742\nPr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.379458 0.379458 0.000000 Si\n0.620542 0.620542 0.000000 Si\n0.250000 0.750000 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n",
"nsites": 5,
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],
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"density": 10.699522966359694,
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"volume": 91.13920378702186,
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"formula_full": "Pr1 Si2 Pt2",
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"formula_anonymous": "AB2C2",
"energy": -32.87626749,
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"updated_at": "2021-11-28T01:35:13.592000Z",
"spacegroup": 139
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{
"id": "mp-1225801",
"created_at": "2022-09-04T14:48:28.603661Z",
"structure_string": "Cu3 Sb1 Se4\n1.0\n13.531639 -1.998979 0.000000\n13.531639 1.998979 0.000000\n13.236337 0.000000 3.449717\nCu Sb Se\n3 1 4\ndirect\n0.993741 0.993741 0.993741 Cu\n0.250268 0.250268 0.250268 Cu\n0.512381 0.512381 0.512381 Cu\n0.742472 0.742472 0.742472 Sb\n0.934930 0.934930 0.934930 Se\n0.190644 0.190644 0.190644 Se\n0.451010 0.451010 0.451010 Se\n0.674553 0.674553 0.674553 Se\n",
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"volume": 186.62597916080566,
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"formula_full": "Cu3 Sb1 Se4",
"formula_reduced": "Cu3SbSe4",
"formula_anonymous": "AB3C4",
"energy": -32.87487273,
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{
"id": "mp-1184568",
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"structure_string": "Hf2 Zn1 Tc1\n1.0\n0.000000 3.294226 3.294226\n3.294226 0.000000 3.294226\n3.294226 3.294226 0.000000\nHf Zn Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Tc\n",
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{
"id": "mp-1206270",
"created_at": "2022-09-04T14:43:46.076243Z",
"structure_string": "Lu1 In1 Ni4\n1.0\n0.000000 3.499374 3.499374\n3.499374 0.000000 3.499374\n3.499374 3.499374 0.000000\nLu In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 In\n0.625589 0.625589 0.625589 Ni\n0.625589 0.625589 0.123233 Ni\n0.625589 0.123233 0.625589 Ni\n0.123233 0.625589 0.625589 Ni\n",
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"volume": 85.70399722890538,
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"formula_full": "Lu1 In1 Ni4",
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{
"id": "mp-1421498",
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"structure_string": "Al1 Fe1 O3\n1.0\n3.801023 0.000000 0.000000\n0.000000 3.801023 0.000000\n0.000000 0.000000 3.801023\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 54.91632829150119,
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"formula_full": "Al1 Fe1 O3",
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"formula_anonymous": "ABC3",
"energy": -32.87211102,
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"updated_at": "2021-11-28T01:36:30.197000Z",
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}
]
}