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{
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"results": [
{
"id": "mp-7555",
"created_at": "2022-09-04T14:40:27.603798Z",
"structure_string": "Li1 Mg1 Sn1 Pd1\n1.0\n0.000000 3.261071 3.261071\n3.261071 0.000000 3.261071\n3.261071 3.261071 0.000000\nLi Mg Sn Pd\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n",
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"volume": 69.36026739617891,
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{
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"nsites": 4,
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"elements": [
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"density": 5.917655903609759,
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"updated_at": "2021-11-28T01:37:35.678000Z",
"spacegroup": 225
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{
"id": "mp-1096591",
"created_at": "2022-09-04T14:42:43.738772Z",
"structure_string": "Mg1 Nb1 Co2\n1.0\n-8.187267 0.000000 -4.726921\n-8.106708 0.121824 4.587389\n-5.488753 7.526519 0.052958\nMg Nb Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.000000 Nb\n0.714463 0.000000 0.000000 Co\n0.285537 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Co-Mg-Nb",
"density": 0.6873874209518955,
"density_atomic": 0.007043700996578667,
"volume": 567.8832764114942,
"volume_molar": 85.49682564500014,
"formula_full": "Mg1 Nb1 Co2",
"formula_reduced": "MgNbCo2",
"formula_anonymous": "ABC2",
"energy": -15.0551593,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.416000Z",
"spacegroup": 71
},
{
"id": "mp-1018076",
"created_at": "2022-09-04T14:41:06.992501Z",
"structure_string": "Ga2 Bi1 As1\n1.0\n4.300141 0.000000 0.000000\n0.000000 4.300141 0.000000\n0.000000 0.000000 6.145861\nGa Bi As\n2 1 1\ndirect\n0.500000 0.000000 0.725736 Ga\n0.000000 0.500000 0.274264 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Bi",
"As"
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"chemical_system": "As-Bi-Ga",
"density": 6.185837170061607,
"density_atomic": 0.03519750386861357,
"volume": 113.64442248323446,
"volume_molar": 17.10956771957367,
"formula_full": "Ga2 Bi1 As1",
"formula_reduced": "Ga2BiAs",
"formula_anonymous": "ABC2",
"energy": -15.05283071,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.643000Z",
"spacegroup": 115
},
{
"id": "mp-978795",
"created_at": "2022-09-04T14:46:59.214227Z",
"structure_string": "Sm3 Hg1\n1.0\n-2.402948 2.402948 5.048807\n2.402948 -2.402948 5.048807\n2.402948 2.402948 -5.048807\nSm Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Sm",
"density": 9.27981503210887,
"density_atomic": 0.03430224031760613,
"volume": 116.61045934503996,
"volume_molar": 17.5561150066022,
"formula_full": "Sm3 Hg1",
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"formula_anonymous": "AB3",
"energy": -15.05217968,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.019000Z",
"spacegroup": 139
},
{
"id": "mp-1226627",
"created_at": "2022-09-04T14:45:20.520786Z",
"structure_string": "Ce1 Mg2 Ni1\n1.0\n0.000000 3.438621 3.438621\n3.438621 0.000000 3.438621\n3.438621 3.438621 0.000000\nCe Mg Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni",
"density": 5.052425493115271,
"density_atomic": 0.04919002715141544,
"volume": 81.3172960382255,
"volume_molar": 12.242605074119608,
"formula_full": "Ce1 Mg2 Ni1",
"formula_reduced": "CeMg2Ni",
"formula_anonymous": "ABC2",
"energy": -15.05042038,
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"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.464000Z",
"spacegroup": 216
},
{
"id": "mp-1206111",
"created_at": "2022-09-04T14:39:48.804269Z",
"structure_string": "Y2 Ag1 Sb3\n1.0\n9.096539 0.000000 0.000000\n0.000000 9.096539 0.000000\n0.000000 0.000000 40.021914\nY Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243010 Y\n0.500000 0.500000 0.756990 Y\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691011 Sb\n0.500000 0.500000 0.308989 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Y",
"density": 0.32640222282833226,
"density_atomic": 0.0018117614903115093,
"volume": 3311.694189376095,
"volume_molar": 332.3914760416157,
"formula_full": "Y2 Ag1 Sb3",
"formula_reduced": "Y2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -15.046437790000002,
"energy_per_atom": -2.507739631666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -14.470437790000002,
"band_gap": 0.1608999999999998,
"is_gap_direct": true,
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"total_magnetization": 3.7909516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.684000Z",
"spacegroup": 123
},
{
"id": "mp-1018795",
"created_at": "2022-09-04T14:44:07.524324Z",
"structure_string": "Mg4 Sn2\n1.0\n2.529209 -4.380719 0.000000\n2.529209 4.380719 0.000000\n0.000000 0.000000 6.273907\nMg Sn\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 6,
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"elements": [
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"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.9969504256462183,
"density_atomic": 0.04315718040097105,
"volume": 139.02669136987916,
"volume_molar": 13.953971747108161,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:35.093000Z",
"spacegroup": 194
},
{
"id": "mp-972411",
"created_at": "2022-09-04T14:43:09.141729Z",
"structure_string": "Tb3 Yb1\n1.0\n-2.540247 2.540247 5.110435\n2.540247 -2.540247 5.110435\n2.540247 2.540247 -5.110435\nTb Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Tb-Yb",
"density": 8.180310282141896,
"density_atomic": 0.030324261763961077,
"volume": 131.9075805088125,
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"formula_full": "Tb3 Yb1",
"formula_reduced": "Tb3Yb",
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"energy": -15.04434318,
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"updated_at": "2021-11-28T01:36:03.835000Z",
"spacegroup": 139
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{
"id": "mp-1097204",
"created_at": "2022-09-04T14:47:06.939457Z",
"structure_string": "Al1 Ga1 Ir2\n1.0\n-4.780002 5.131630 7.256769\n4.780002 -5.131630 7.256769\n4.780002 5.131630 -7.256769\nAl Ga Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n0.000000 0.247265 0.247265 Ir\n0.000000 0.752735 0.752735 Ir\n",
"nsites": 4,
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"elements": [
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"density": 1.1221025219885858,
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"volume": 712.0110008987745,
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"formula_full": "Al1 Ga1 Ir2",
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"updated_at": "2021-11-28T01:37:57.480000Z",
"spacegroup": 71
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{
"id": "mp-1184389",
"created_at": "2022-09-04T14:41:57.157440Z",
"structure_string": "Eu1 Ag1 Hg2\n1.0\n0.000000 3.699418 3.699418\n3.699418 0.000000 3.699418\n3.699418 3.699418 0.000000\nEu Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"density": 10.83997700426711,
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"volume": 101.25820203927853,
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"formula_full": "Eu1 Ag1 Hg2",
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"updated_at": "2021-11-28T01:35:40.719000Z",
"spacegroup": 225
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{
"id": "mp-1096363",
"created_at": "2022-09-04T14:44:57.114332Z",
"structure_string": "Sc2 Ag1 Pt1\n1.0\n-5.179242 5.871464 8.261217\n5.179242 -5.871464 8.261217\n5.179242 5.871464 -8.261217\nSc Ag Pt\n2 1 1\ndirect\n0.000000 0.273469 0.273469 Sc\n0.000000 0.726531 0.726531 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 0.6491943484963494,
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"volume": 1004.8856112575174,
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"formula_full": "Sc2 Ag1 Pt1",
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"updated_at": "2021-11-28T01:36:42.770000Z",
"spacegroup": 71
}
]
}