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{
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"results": [
{
"id": "mp-2646",
"created_at": "2022-09-04T14:41:46.095095Z",
"structure_string": "Mg3 Sb2\n1.0\n2.300372 -3.984360 0.000000\n2.300372 3.984360 0.000000\n0.000000 0.000000 7.281330\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.368325 Mg\n0.666667 0.333333 0.631675 Mg\n0.333333 0.666667 0.774749 Sb\n0.666667 0.333333 0.225251 Sb\n",
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{
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"updated_at": "2021-11-28T01:39:32.549000Z",
"spacegroup": 225
},
{
"id": "mp-569843",
"created_at": "2022-09-04T14:43:20.960105Z",
"structure_string": "Mn1 Br2\n1.0\n6.808551 -1.939080 0.000000\n6.808551 1.939080 0.000000\n6.256300 0.000000 3.312871\nMn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.741869 0.741869 0.741869 Br\n0.258131 0.258131 0.258131 Br\n",
"nsites": 3,
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"elements": [
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"density": 4.076517666758473,
"density_atomic": 0.03429543469589399,
"volume": 87.47519973435922,
"volume_molar": 17.559598860314193,
"formula_full": "Mn1 Br2",
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"energy": -15.93608498,
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"updated_at": "2021-11-28T01:36:10.375000Z",
"spacegroup": 166
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{
"id": "mp-1214268",
"created_at": "2022-09-04T14:45:42.717154Z",
"structure_string": "Ca2 Mn1 Si2\n1.0\n6.675490 0.000000 0.000000\n0.000000 6.675490 0.000000\n0.000000 0.000000 14.205459\nCa Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.633490 Ca\n0.500000 0.500000 0.366510 Ca\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.161603 Si\n0.500000 0.500000 0.838397 Si\n",
"nsites": 5,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Ca-Mn-Si",
"density": 0.5017219876475556,
"density_atomic": 0.007898569320506805,
"volume": 633.0260325776542,
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"formula_full": "Ca2 Mn1 Si2",
"formula_reduced": "Ca2MnSi2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:19.082000Z",
"spacegroup": 123
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{
"id": "mp-1096043",
"created_at": "2022-09-04T14:44:11.575068Z",
"structure_string": "Be1 B1 Pt2\n1.0\n-7.102528 0.000000 -4.100647\n-7.638181 -0.003895 5.028425\n-4.911733 7.707662 0.306079\nBe B Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 B\n0.729139 0.000000 0.000000 Pt\n0.270861 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "B-Be-Pt",
"density": 1.3174062585948902,
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"volume": 516.7778505915405,
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"formula_full": "Be1 B1 Pt2",
"formula_reduced": "BeBPt2",
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"updated_at": "2021-11-28T01:36:31.019000Z",
"spacegroup": 71
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{
"id": "mp-1753",
"created_at": "2022-09-04T14:39:11.178369Z",
"structure_string": "Th1 As1\n1.0\n0.000000 3.007503 3.007503\n3.007503 0.000000 3.007503\n3.007503 3.007503 0.000000\nTh As\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
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"elements": [
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"chemical_system": "As-Th",
"density": 9.3687618451405,
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"volume": 54.40617615492489,
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"formula_full": "Th1 As1",
"formula_reduced": "ThAs",
"formula_anonymous": "AB",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.600000Z",
"spacegroup": 225
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{
"id": "mp-973741",
"created_at": "2022-09-04T14:40:36.380814Z",
"structure_string": "Li1 Ho3\n1.0\n-2.387137 2.387137 5.076439\n2.387137 -2.387137 5.076439\n2.387137 2.387137 -5.076439\nLi Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ho"
],
"chemical_system": "Ho-Li",
"density": 7.200240648935541,
"density_atomic": 0.03456894610321269,
"volume": 115.71078817552547,
"volume_molar": 17.42066634608895,
"formula_full": "Li1 Ho3",
"formula_reduced": "LiHo3",
"formula_anonymous": "AB3",
"energy": -14.86373327,
"energy_per_atom": -3.7159333175,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:03.317000Z",
"spacegroup": 139
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{
"id": "mp-1219710",
"created_at": "2022-09-04T14:40:54.493632Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n3.845048 0.000000 0.000000\n0.000000 3.845048 0.000000\n0.000000 0.000000 7.749488\nPr Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.244096 Mg\n0.500000 0.500000 0.755904 Mg\n",
"nsites": 4,
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"elements": [
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"Y",
"Mg"
],
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"density": 4.035324317066884,
"density_atomic": 0.03491270105867594,
"volume": 114.57148483806537,
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"formula_full": "Pr1 Y1 Mg2",
"formula_reduced": "PrYMg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:01.628000Z",
"spacegroup": 123
},
{
"id": "mp-30877",
"created_at": "2022-09-04T14:45:14.164352Z",
"structure_string": "Sr2 Tl4\n1.0\n2.607460 -4.516254 0.000000\n2.607460 4.516254 0.000000\n0.000000 0.000000 8.435266\nSr Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.451147 Tl\n0.666667 0.333333 0.951147 Tl\n0.666667 0.333333 0.548853 Tl\n0.333333 0.666667 0.048853 Tl\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Sr-Tl",
"density": 8.298017574458937,
"density_atomic": 0.030201357095224587,
"volume": 198.6665692234312,
"volume_molar": 19.939967402829776,
"formula_full": "Sr2 Tl4",
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"energy": -14.8603811,
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"updated_at": "2021-11-28T01:36:53.852000Z",
"spacegroup": 194
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{
"id": "mp-866067",
"created_at": "2022-09-04T14:42:14.677879Z",
"structure_string": "Nd2 Cd1 In1\n1.0\n0.000000 3.876970 3.876970\n3.876970 0.000000 3.876970\n3.876970 3.876970 0.000000\nNd Cd In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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"density": 7.347673665646402,
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"volume": 116.54866868371575,
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"formula_full": "Nd2 Cd1 In1",
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{
"id": "mp-980049",
"created_at": "2022-09-04T14:41:04.826673Z",
"structure_string": "Yb3 Re1\n1.0\n0.000000 3.624484 3.624484\n3.624484 0.000000 3.624484\n3.624484 3.624484 0.000000\nYb Re\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Re\n",
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{
"id": "mp-892",
"created_at": "2022-09-04T14:39:48.892284Z",
"structure_string": "Sc1 Pt1\n1.0\n3.308547 0.000000 0.000000\n0.000000 3.308547 0.000000\n0.000000 0.000000 3.308547\nSc Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pt\n",
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"updated_at": "2021-11-28T01:34:24.576000Z",
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}
]
}