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"results": [
{
"id": "mp-1187370",
"created_at": "2022-09-04T14:43:23.088427Z",
"structure_string": "Tb1 Pm1 Ir2\n1.0\n0.000000 3.487449 3.487449\n3.487449 0.000000 3.487449\n3.487449 3.487449 0.000000\nTb Pm Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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"structure_string": "Sm1 B1 Pd3\n1.0\n4.359961 0.000000 0.000000\n0.000000 4.359961 0.000000\n0.000000 0.000000 4.359961\nSm B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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"updated_at": "2021-11-28T01:34:48.526000Z",
"spacegroup": 221
},
{
"id": "mp-568333",
"created_at": "2022-09-04T14:47:19.531495Z",
"structure_string": "K2 Sn1 Br6\n1.0\n0.000000 5.407070 5.407070\n5.407070 0.000000 5.407070\n5.407070 5.407070 0.000000\nK Sn Br\n2 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sn\n0.244945 0.244945 0.755055 Br\n0.755055 0.755055 0.244945 Br\n0.755055 0.244945 0.244945 Br\n0.244945 0.755055 0.244945 Br\n0.244945 0.755055 0.755055 Br\n0.755055 0.244945 0.755055 Br\n",
"nsites": 9,
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"elements": [
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"density": 3.5521570840559034,
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"volume": 316.1665874175465,
"volume_molar": 21.155552144859,
"formula_full": "K2 Sn1 Br6",
"formula_reduced": "K2SnBr6",
"formula_anonymous": "AB2C6",
"energy": -29.86448566,
"energy_per_atom": -3.3182761844444446,
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"updated_at": "2021-11-28T01:38:06.857000Z",
"spacegroup": 225
},
{
"id": "mp-1110565",
"created_at": "2022-09-04T14:41:54.390440Z",
"structure_string": "Cs2 Na1 Au1 Br6\n1.0\n0.000000 5.615668 5.615668\n5.615668 0.000000 5.615668\n5.615668 5.615668 0.000000\nCs Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.761497 0.238503 0.238503 Br\n0.238503 0.238503 0.761497 Br\n0.238503 0.761497 0.761497 Br\n0.238503 0.761497 0.238503 Br\n0.761497 0.238503 0.761497 Br\n0.761497 0.761497 0.238503 Br\n",
"nsites": 10,
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"chemical_system": "Au-Br-Cs-Na",
"density": 4.525100213482495,
"density_atomic": 0.028233565805455416,
"volume": 354.18834690968276,
"volume_molar": 21.329720806418205,
"formula_full": "Cs2 Na1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -29.86521713,
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"updated_at": "2021-11-28T01:35:32.953000Z",
"spacegroup": 225
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{
"id": "mp-567427",
"created_at": "2022-09-04T14:41:48.238022Z",
"structure_string": "Yb1 Ge2 Rh2\n1.0\n-2.083522 2.083522 5.191827\n2.083522 -2.083522 5.191827\n2.083522 2.083522 -5.191827\nYb Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.375490 0.375490 0.000000 Ge\n0.624510 0.624510 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Yb",
"density": 9.65411703588629,
"density_atomic": 0.05546175643466292,
"volume": 90.15221156744796,
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"formula_full": "Yb1 Ge2 Rh2",
"formula_reduced": "Yb(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -29.86610617,
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"updated_at": "2021-11-28T01:35:38.345000Z",
"spacegroup": 139
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{
"id": "mp-1018789",
"created_at": "2022-09-04T14:41:34.273726Z",
"structure_string": "Li2 O4\n1.0\n2.961101 0.000000 0.000000\n0.000000 3.985669 0.000000\n0.000000 0.000000 4.896090\nLi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.631858 0.085623 O\n0.500000 0.368142 0.914377 O\n0.000000 0.131858 0.414377 O\n0.000000 0.868142 0.585623 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"O"
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"chemical_system": "Li-O",
"density": 2.2380457884537033,
"density_atomic": 0.10383587052361105,
"volume": 57.78349976500337,
"volume_molar": 5.799672819837953,
"formula_full": "Li2 O4",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy": -29.86710803,
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"energy_uncorrected": -29.22310803,
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"updated_at": "2021-11-28T01:35:27.656000Z",
"spacegroup": 58
},
{
"id": "mp-865375",
"created_at": "2022-09-04T14:42:16.697276Z",
"structure_string": "Tm2 Os1 Rh1\n1.0\n0.000000 3.372322 3.372322\n3.372322 0.000000 3.372322\n3.372322 3.372322 0.000000\nTm Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
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"density": 13.660419985050096,
"density_atomic": 0.052148628185459005,
"volume": 76.70383937568947,
"volume_molar": 11.548032938820812,
"formula_full": "Tm2 Os1 Rh1",
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"energy": -29.87033976,
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"updated_at": "2021-11-28T01:35:39.901000Z",
"spacegroup": 225
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{
"id": "mp-1224210",
"created_at": "2022-09-04T14:42:04.286970Z",
"structure_string": "In1 Cu1 Ge1 Se4\n1.0\n-2.946098 2.946098 5.393461\n2.946098 -2.946098 5.393461\n2.946098 2.946098 -5.393461\nIn Cu Ge Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.152035 0.121068 0.502918 Se\n0.618150 0.649118 0.497082 Se\n0.350882 0.847965 0.969032 Se\n0.878932 0.381850 0.030968 Se\n",
"nsites": 7,
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"elements": [
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"Ge",
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],
"chemical_system": "Cu-Ge-In-Se",
"density": 5.0267899591838905,
"density_atomic": 0.037383170150755735,
"volume": 187.2500371630063,
"volume_molar": 16.10922973015507,
"formula_full": "In1 Cu1 Ge1 Se4",
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"formula_anonymous": "ABCD4",
"energy": -29.8707136,
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"updated_at": "2021-11-28T01:35:45.053000Z",
"spacegroup": 82
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{
"id": "mp-5326",
"created_at": "2022-09-04T14:48:10.185684Z",
"structure_string": "Yb1 Co2 Si2\n1.0\n-1.944644 1.944644 4.901727\n1.944644 -1.944644 4.901727\n1.944644 1.944644 -4.901727\nYb Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.630879 0.630879 0.000000 Si\n0.369121 0.369121 0.000000 Si\n",
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"formula_full": "Yb1 Co2 Si2",
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"updated_at": "2021-11-28T01:38:26.956000Z",
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{
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"structure_string": "Sr1 In1 O3\n1.0\n4.214427 0.000000 0.000000\n0.000000 4.214427 0.000000\n0.000000 0.000000 4.214427\nSr In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 In\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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{
"id": "mp-1077280",
"created_at": "2022-09-04T14:43:36.819570Z",
"structure_string": "Al1 N1 F4\n1.0\n3.630272 0.000000 0.000000\n0.000000 3.630272 0.000000\n0.000000 0.000000 6.182835\nAl N F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.791276 F\n0.500000 0.500000 0.208724 F\n",
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"formula_full": "Al1 N1 F4",
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"updated_at": "2021-11-28T01:36:22.526000Z",
"spacegroup": 123
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{
"id": "mp-1071720",
"created_at": "2022-09-04T14:41:50.663514Z",
"structure_string": "Sc2 Zn2 Pd2\n1.0\n2.162320 -4.580283 0.000000\n2.162320 4.580283 0.000000\n0.000000 0.000000 5.318713\nSc Zn Pd\n2 2 2\ndirect\n0.706149 0.293851 0.250000 Sc\n0.293851 0.706149 0.750000 Sc\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.402331 0.597669 0.250000 Pd\n0.597669 0.402331 0.750000 Pd\n",
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"volume": 105.35346639637928,
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"formula_full": "Sc2 Zn2 Pd2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:30.340000Z",
"spacegroup": 63
}
]
}