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{
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"results": [
{
"id": "mp-23736",
"created_at": "2022-09-04T14:40:03.480169Z",
"structure_string": "Li2 Mg2 H6\n1.0\n4.662864 -2.479255 0.000000\n4.662864 2.479255 0.000000\n3.344638 0.000000 4.086857\nLi Mg H\n2 2 6\ndirect\n0.288937 0.288937 0.288937 Li\n0.788937 0.788937 0.788937 Li\n0.999186 0.999186 0.999186 Mg\n0.499186 0.499186 0.499186 Mg\n0.700549 0.101527 0.389600 H\n0.389600 0.700549 0.101527 H\n0.101527 0.389600 0.700549 H\n0.200549 0.889600 0.601527 H\n0.889600 0.601527 0.200549 H\n0.601527 0.200549 0.889600 H\n",
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"formula_full": "Li2 Mg2 H6",
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{
"id": "mp-1215633",
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"structure_string": "Zn5 Te1 Se4\n1.0\n-2.925242 -2.925242 0.000000\n0.000000 2.925242 -14.508516\n2.925242 -2.925242 0.000000\nZn Te Se\n5 1 4\ndirect\n0.993945 0.987890 0.993945 Zn\n0.606055 0.212110 0.606055 Zn\n0.203057 0.406113 0.203057 Zn\n0.800000 0.600000 0.800000 Zn\n0.396943 0.793887 0.396943 Zn\n0.050000 0.100000 0.550000 Te\n0.654564 0.309128 0.154564 Se\n0.251289 0.502578 0.751289 Se\n0.848711 0.697422 0.348711 Se\n0.445436 0.890872 0.945436 Se\n",
"nsites": 10,
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"Se"
],
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"volume": 248.29992551655585,
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"formula_full": "Zn5 Te1 Se4",
"formula_reduced": "Zn5TeSe4",
"formula_anonymous": "AB4C5",
"energy": -32.27124259,
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"updated_at": "2021-11-28T01:34:45.678000Z",
"spacegroup": 119
},
{
"id": "mp-1183698",
"created_at": "2022-09-04T14:42:43.145847Z",
"structure_string": "Co3 Ir1\n1.0\n3.582561 0.000000 0.000000\n0.000000 3.582561 0.000000\n0.000000 0.000000 3.582561\nCo Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
],
"chemical_system": "Co-Ir",
"density": 13.326441629423543,
"density_atomic": 0.08699197880230376,
"volume": 45.98125085866043,
"volume_molar": 6.9226391247931,
"formula_full": "Co3 Ir1",
"formula_reduced": "Co3Ir",
"formula_anonymous": "AB3",
"energy": -29.95997019,
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"updated_at": "2021-11-28T01:35:59.191000Z",
"spacegroup": 221
},
{
"id": "mp-1417269",
"created_at": "2022-09-04T14:42:11.825505Z",
"structure_string": "Fe2 N2\n1.0\n3.438948 0.000000 0.000000\n0.000000 3.438948 0.000000\n0.000000 0.000000 4.764827\nFe N\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Fe-N",
"density": 4.1167805625231875,
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"volume": 56.35057538618558,
"volume_molar": 8.483777422065023,
"formula_full": "Fe2 N2",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy": -30.68154334,
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"updated_at": "2021-11-28T01:35:41.542000Z",
"spacegroup": 131
},
{
"id": "mp-1180520",
"created_at": "2022-09-04T14:44:10.986867Z",
"structure_string": "Li4 S4\n1.0\n-2.389532 2.389532 6.984932\n2.389532 -2.389532 6.984932\n2.389532 2.389532 -6.984932\nLi S\n4 4\ndirect\n0.723305 0.723305 0.000000 Li\n0.276695 0.276695 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.036528 0.721576 0.000000 S\n0.721576 0.036528 0.000000 S\n0.963472 0.963472 0.685048 S\n0.278424 0.278424 0.314952 S\n",
"nsites": 8,
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"elements": [
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"S"
],
"chemical_system": "Li-S",
"density": 1.6240246980206432,
"density_atomic": 0.05014667144837514,
"volume": 159.53202413914588,
"volume_molar": 12.009053813670679,
"formula_full": "Li4 S4",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy": -31.9713285,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.044000Z",
"spacegroup": 121
},
{
"id": "mp-865381",
"created_at": "2022-09-04T14:48:18.686633Z",
"structure_string": "Tm2 Ir1 Ru1\n1.0\n0.000000 3.370356 3.370356\n3.370356 0.000000 3.370356\n3.370356 3.370356 0.000000\nTm Ir Ru\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 Ru\n",
"nsites": 4,
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"elements": [
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"Ir",
"Ru"
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"chemical_system": "Ir-Ru-Tm",
"density": 13.687624690827963,
"density_atomic": 0.05223993962482528,
"volume": 76.56976690109217,
"volume_molar": 11.527847855969151,
"formula_full": "Tm2 Ir1 Ru1",
"formula_reduced": "Tm2IrRu",
"formula_anonymous": "ABC2",
"energy": -29.9587485,
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"energy_above_hull": null,
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"energy_uncorrected": -29.9587485,
"band_gap": 0.0,
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"total_magnetization": 0.0070377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.230000Z",
"spacegroup": 225
},
{
"id": "mp-998970",
"created_at": "2022-09-04T14:39:16.675361Z",
"structure_string": "Ti1 Fe2 Sb1\n1.0\n3.022760 3.022760 0.000000\n3.022760 0.000000 -3.022760\n0.000000 3.022760 -3.022760\nTi Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 8.456761436812515,
"density_atomic": 0.07241340944745518,
"volume": 55.23838789696114,
"volume_molar": 8.31633368177451,
"formula_full": "Ti1 Fe2 Sb1",
"formula_reduced": "TiFe2Sb",
"formula_anonymous": "ABC2",
"energy": -30.1505307,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:24.475000Z",
"spacegroup": 225
},
{
"id": "mp-1110566",
"created_at": "2022-09-04T14:42:02.320731Z",
"structure_string": "Cs2 Na1 As1 Br6\n1.0\n0.000000 5.649590 5.649590\n5.649590 0.000000 5.649590\n5.649590 5.649590 0.000000\nCs Na As 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 As\n0.763013 0.236987 0.236987 Br\n0.236987 0.236987 0.763013 Br\n0.236987 0.763013 0.763013 Br\n0.236987 0.763013 0.236987 Br\n0.763013 0.236987 0.763013 Br\n0.763013 0.763013 0.236987 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"As",
"Br"
],
"chemical_system": "As-Br-Cs-Na",
"density": 3.8821403472137406,
"density_atomic": 0.027728042423378407,
"volume": 360.6457263484521,
"volume_molar": 21.718593285628195,
"formula_full": "Cs2 Na1 As1 Br6",
"formula_reduced": "Cs2NaAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.16161396,
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"updated_at": "2021-11-28T01:35:36.214000Z",
"spacegroup": 225
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{
"id": "mp-20137",
"created_at": "2022-09-04T14:45:39.683173Z",
"structure_string": "Dy1 Ge2 Pt2\n1.0\n-2.192855 2.192855 4.930304\n2.192855 -2.192855 4.930304\n2.192855 2.192855 -4.930304\nDy Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.624414 0.624414 0.000000 Ge\n0.375586 0.375586 0.000000 Ge\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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"volume": 94.83169663968306,
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"formula_full": "Dy1 Ge2 Pt2",
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"formula_anonymous": "AB2C2",
"energy": -29.95704367,
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"updated_at": "2021-11-28T01:37:19.520000Z",
"spacegroup": 139
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{
"id": "mp-9312",
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"structure_string": "Pr1 Ni1 C2\n1.0\n2.277028 -3.064060 0.000000\n2.277028 3.064060 0.000000\n0.000000 0.000000 3.896824\nPr Ni C\n1 1 2\ndirect\n0.998054 0.001946 0.000000 Pr\n0.384684 0.615316 0.500000 Ni\n0.546398 0.154136 0.500000 C\n0.845864 0.453602 0.500000 C\n",
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"formula_full": "Pr1 Ni1 C2",
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{
"id": "mp-1185620",
"created_at": "2022-09-04T14:46:17.433476Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n0.000000 3.044703 3.044703\n3.044703 0.000000 3.044703\n3.044703 3.044703 0.000000\nMg V Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Mg1 V1 Ru2",
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"updated_at": "2021-11-28T01:37:31.447000Z",
"spacegroup": 225
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{
"id": "mp-22713",
"created_at": "2022-09-04T14:39:21.705511Z",
"structure_string": "Ce2 Ni2 Sn1\n1.0\n-2.179614 2.905212 4.062053\n2.179614 -2.905212 4.062053\n2.179614 2.905212 -4.062053\nCe Ni Sn\n2 2 1\ndirect\n0.701854 0.201854 0.500000 Ce\n0.298146 0.798146 0.500000 Ce\n0.288363 0.500000 0.788363 Ni\n0.711637 0.500000 0.211637 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 5,
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"volume": 102.88759011127227,
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"formula_full": "Ce2 Ni2 Sn1",
"formula_reduced": "Ce2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy": -29.95533015,
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"updated_at": "2021-11-28T01:34:41.795000Z",
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}
]
}