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{
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"results": [
{
"id": "mp-865088",
"created_at": "2022-09-04T14:42:20.179233Z",
"structure_string": "Mn1 Ga1 Ir2\n1.0\n0.000000 3.045731 3.045731\n3.045731 0.000000 3.045731\n3.045731 3.045731 0.000000\nMn Ga Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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{
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},
{
"id": "mp-20910",
"created_at": "2022-09-04T14:44:19.922363Z",
"structure_string": "La1 Ge3 Ir1\n1.0\n-2.238020 2.238020 5.093402\n2.238020 -2.238020 5.093402\n2.238020 2.238020 -5.093402\nLa Ge Ir\n1 3 1\ndirect\n0.420618 0.420618 0.000000 La\n0.157563 0.657563 0.500000 Ge\n0.657563 0.157563 0.500000 Ge\n0.999524 0.999524 0.000000 Ge\n0.761692 0.761692 0.000000 Ir\n",
"nsites": 5,
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"elements": [
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"Ge",
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],
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"density": 8.934271887327258,
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"volume": 102.04597332108962,
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"formula_full": "La1 Ge3 Ir1",
"formula_reduced": "LaGe3Ir",
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"updated_at": "2021-11-28T01:36:37.943000Z",
"spacegroup": 107
},
{
"id": "mp-976446",
"created_at": "2022-09-04T14:47:26.448542Z",
"structure_string": "Mg1 Mn1 O3\n1.0\n3.735670 0.000000 0.000000\n0.000000 3.735670 0.000000\n0.000000 0.000000 3.735670\nMg Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Mg-Mn-O",
"density": 4.05295230583769,
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"volume": 52.132135357475256,
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"formula_full": "Mg1 Mn1 O3",
"formula_reduced": "MgMnO3",
"formula_anonymous": "ABC3",
"energy": -35.01401929,
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"updated_at": "2021-11-28T01:38:07.813000Z",
"spacegroup": 221
},
{
"id": "mp-1187515",
"created_at": "2022-09-04T14:42:20.903609Z",
"structure_string": "Yb1 Sn1 O3\n1.0\n4.031675 0.000000 0.000000\n0.000000 4.031675 0.000000\n0.000000 0.000000 4.031675\nYb Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sn\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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"elements": [
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"density": 8.608940673960896,
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"volume": 65.53247144720568,
"volume_molar": 7.8929153481150705,
"formula_full": "Yb1 Sn1 O3",
"formula_reduced": "YbSnO3",
"formula_anonymous": "ABC3",
"energy": -33.34572089,
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"updated_at": "2021-11-28T01:35:42.404000Z",
"spacegroup": 221
},
{
"id": "mp-1206330",
"created_at": "2022-09-04T14:42:08.271834Z",
"structure_string": "Dy2 Al2 Si2\n1.0\n2.008891 -5.137966 0.000000\n2.008891 5.137966 0.000000\n0.000000 0.000000 5.686151\nDy Al Si\n2 2 2\ndirect\n0.694315 0.305685 0.250000 Dy\n0.305685 0.694315 0.750000 Dy\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.400177 0.599823 0.250000 Si\n0.599823 0.400177 0.750000 Si\n",
"nsites": 6,
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"elements": [
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"Al",
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],
"chemical_system": "Al-Dy-Si",
"density": 6.1556824812738204,
"density_atomic": 0.05111581234103503,
"volume": 117.38050762001266,
"volume_molar": 11.781365656132813,
"formula_full": "Dy2 Al2 Si2",
"formula_reduced": "DyAlSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:41.619000Z",
"spacegroup": 63
},
{
"id": "mp-1112210",
"created_at": "2022-09-04T14:41:56.895443Z",
"structure_string": "K2 Al1 Hg1 Cl6\n1.0\n0.000000 5.233902 5.233902\n5.233902 0.000000 5.233902\n5.233902 5.233902 0.000000\nK Al Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.774978 0.225022 0.225022 Cl\n0.225022 0.225022 0.774978 Cl\n0.225022 0.774978 0.774978 Cl\n0.225022 0.774978 0.225022 Cl\n0.774978 0.225022 0.774978 Cl\n0.774978 0.774978 0.225022 Cl\n",
"nsites": 10,
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"elements": [
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"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-K",
"density": 3.0024756380652993,
"density_atomic": 0.03487331595010662,
"volume": 286.75219799307405,
"volume_molar": 17.268620995536814,
"formula_full": "K2 Al1 Hg1 Cl6",
"formula_reduced": "K2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.96705644,
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{
"id": "mp-865343",
"created_at": "2022-09-04T14:41:01.669491Z",
"structure_string": "Tm2 Ir1 Os1\n1.0\n0.000000 3.371640 3.371640\n3.371640 0.000000 3.371640\n3.371640 3.371640 0.000000\nTm Ir Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"Os"
],
"chemical_system": "Ir-Os-Tm",
"density": 15.603363325370546,
"density_atomic": 0.05218027974871099,
"volume": 76.6573122885339,
"volume_molar": 11.541028122120721,
"formula_full": "Tm2 Ir1 Os1",
"formula_reduced": "Tm2IrOs",
"formula_anonymous": "ABC2",
"energy": -31.28255449,
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"updated_at": "2021-11-28T01:34:57.758000Z",
"spacegroup": 225
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{
"id": "mp-1112527",
"created_at": "2022-09-04T14:44:56.569126Z",
"structure_string": "Cs2 Na1 Tl1 Cl6\n1.0\n0.000000 5.440171 5.440171\n5.440171 0.000000 5.440171\n5.440171 5.440171 0.000000\nCs Na Tl Cl\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 Tl\n0.758287 0.241713 0.241713 Cl\n0.241713 0.241713 0.758287 Cl\n0.241713 0.758287 0.758287 Cl\n0.241713 0.758287 0.241713 Cl\n0.758287 0.241713 0.758287 Cl\n0.758287 0.758287 0.241713 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Cs-Na-Tl",
"density": 3.6402050225548295,
"density_atomic": 0.031055058470810457,
"volume": 322.0087319880363,
"volume_molar": 19.391819099810693,
"formula_full": "Cs2 Na1 Tl1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy": -34.96559336,
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{
"id": "mp-1184751",
"created_at": "2022-09-04T14:46:35.315388Z",
"structure_string": "In1 Si1 O3\n1.0\n3.663019 0.000000 0.000000\n0.000000 3.663019 0.000000\n0.000000 0.000000 3.663019\nIn Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Si\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-1017478",
"created_at": "2022-09-04T14:45:27.803200Z",
"structure_string": "La2 Mg12 Cd2\n1.0\n5.167138 0.000000 0.000000\n0.000000 6.744458 0.000000\n0.000000 0.000000 11.673125\nLa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.330970 La\n0.000000 0.000000 0.830970 La\n0.000000 0.254914 0.080562 Mg\n0.000000 0.745086 0.080562 Mg\n0.000000 0.500000 0.837261 Mg\n0.500000 0.262274 0.921809 Mg\n0.500000 0.737726 0.921809 Mg\n0.500000 0.500000 0.667107 Mg\n0.000000 0.754914 0.580562 Mg\n0.000000 0.245086 0.580562 Mg\n0.000000 0.000000 0.337261 Mg\n0.500000 0.762274 0.421809 Mg\n0.500000 0.237726 0.421809 Mg\n0.500000 0.000000 0.167107 Mg\n0.500000 0.500000 0.159921 Cd\n0.500000 0.000000 0.659921 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cd-La-Mg",
"density": 3.242242905977798,
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"volume": 406.8030975602669,
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"formula_full": "La2 Mg12 Cd2",
"formula_reduced": "LaMg6Cd",
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"spacegroup": 38
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{
"id": "mp-2924",
"created_at": "2022-09-04T14:47:28.789170Z",
"structure_string": "Ho1 Si2 Ni2\n1.0\n-1.977318 1.977318 4.747851\n1.977318 -1.977318 4.747851\n1.977318 1.977318 -4.747851\nHo Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.626279 0.626279 0.000000 Si\n0.373721 0.373721 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"volume": 74.25233446483301,
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"formula_full": "Ho1 Si2 Ni2",
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}
]
}