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{
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{
"id": "mp-1001827",
"created_at": "2022-09-04T14:41:47.087843Z",
"structure_string": "Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n",
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{
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{
"id": "mp-977546",
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"structure_string": "Pm2 Zn1 Ga1\n1.0\n0.000000 3.674215 3.674215\n3.674215 0.000000 3.674215\n3.674215 3.674215 0.000000\nPm Zn Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
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"updated_at": "2021-11-28T01:36:49.278000Z",
"spacegroup": 225
},
{
"id": "mp-1186263",
"created_at": "2022-09-04T14:44:09.658022Z",
"structure_string": "Nd3 Cd1\n1.0\n-2.477070 2.477070 5.081011\n2.477070 -2.477070 5.081011\n2.477071 2.477070 -5.081011\nNd Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Nd",
"density": 7.258852707507594,
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"volume": 124.70583460288196,
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"formula_full": "Nd3 Cd1",
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"energy": -15.62459233,
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{
"id": "mp-862493",
"created_at": "2022-09-04T14:40:26.598433Z",
"structure_string": "Li1 Er2 Al1\n1.0\n0.000000 3.609218 3.609218\n3.609218 0.000000 3.609218\n3.609218 3.609218 0.000000\nLi Er Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Er-Li",
"density": 6.506495989326967,
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"volume": 94.03062863145341,
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"formula_full": "Li1 Er2 Al1",
"formula_reduced": "LiEr2Al",
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"updated_at": "2021-11-28T01:34:48.535000Z",
"spacegroup": 225
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{
"id": "mp-1225483",
"created_at": "2022-09-04T14:46:41.340797Z",
"structure_string": "Er1 In2 Sn1\n1.0\n4.602310 0.000000 0.000000\n0.000000 4.602310 0.000000\n0.000000 0.000000 4.744509\nEr In Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 8.519678496193054,
"density_atomic": 0.03980310753522576,
"volume": 100.49466606244248,
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"formula_full": "Er1 In2 Sn1",
"formula_reduced": "ErIn2Sn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:44.880000Z",
"spacegroup": 123
},
{
"id": "mp-1093629",
"created_at": "2022-09-04T14:47:59.727004Z",
"structure_string": "Mn1 Al2 Fe1\n1.0\n-5.021962 5.505678 7.706126\n5.021962 -5.505678 7.706126\n5.021962 5.505678 -7.706126\nMn Al Fe\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257158 0.257158 Al\n0.000000 0.742842 0.742842 Al\n0.000000 0.500000 0.500000 Fe\n",
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"chemical_system": "Al-Fe-Mn",
"density": 0.3209844333555849,
"density_atomic": 0.004693314572242307,
"volume": 852.2761341541475,
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"formula_full": "Mn1 Al2 Fe1",
"formula_reduced": "MnAl2Fe",
"formula_anonymous": "ABC2",
"energy": -15.62109825,
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"updated_at": "2021-11-28T01:38:25.148000Z",
"spacegroup": 71
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{
"id": "mp-1206924",
"created_at": "2022-09-04T14:39:58.532588Z",
"structure_string": "Ba1 Zn2 Ge2\n1.0\n-2.289810 2.289810 5.349431\n2.289810 -2.289810 5.349431\n2.289810 2.289810 -5.349431\nBa Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.376132 0.376132 0.000000 Ge\n0.623868 0.623868 0.000000 Ge\n",
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"Zn",
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"density": 6.118984537360575,
"density_atomic": 0.04456598682346644,
"volume": 112.19318490143306,
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"formula_full": "Ba1 Zn2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "mp-13452",
"created_at": "2022-09-04T14:39:05.913938Z",
"structure_string": "Be1 Pd2\n1.0\n-1.386777 1.386777 4.964592\n1.386777 -1.386777 4.964592\n1.386777 1.386777 -4.964592\nBe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.356659 0.356659 0.000000 Pd\n0.643341 0.643341 0.000000 Pd\n",
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"density": 9.646193892946638,
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"volume": 38.190629310367235,
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"formula_full": "Be1 Pd2",
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"updated_at": "2021-11-28T01:34:43.560000Z",
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{
"id": "mp-1228895",
"created_at": "2022-09-04T14:46:15.185968Z",
"structure_string": "Al1 Ga1 Sb2\n1.0\n7.297205 -2.201834 0.000000\n7.297205 2.201834 0.000000\n6.632831 0.000000 3.755374\nAl Ga Sb\n1 1 2\ndirect\n0.000086 0.000086 0.000086 Al\n0.500051 0.500051 0.500051 Ga\n0.874940 0.874940 0.874940 Sb\n0.374923 0.374923 0.374923 Sb\n",
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"formula_full": "Al1 Ga1 Sb2",
"formula_reduced": "AlGaSb2",
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"energy": -16.00019295,
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{
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"created_at": "2022-09-04T14:39:33.922026Z",
"structure_string": "Sc1 Mn1 Au2\n1.0\n-5.437330 6.240975 8.540093\n5.437330 -6.240975 8.540093\n5.437330 6.240975 -8.540093\nSc Mn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.250642 0.250642 Au\n0.000000 0.749358 0.749358 Au\n",
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"volume": 1159.206282322482,
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{
"id": "mp-1077144",
"created_at": "2022-09-04T14:42:57.216730Z",
"structure_string": "Cd1 Hg1 S4\n1.0\n-5.197746 5.197746 1.505070\n5.197746 -5.197746 1.505070\n5.197746 5.197746 -1.505070\nCd Hg S\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n0.698338 0.724184 0.399256 S\n0.324928 0.299082 0.600744 S\n0.700918 0.301662 0.025847 S\n0.275816 0.675072 0.974153 S\n",
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"formula_full": "Cd1 Hg1 S4",
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"updated_at": "2021-11-28T01:36:09.510000Z",
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]
}