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{
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"results": [
{
"id": "mp-1097656",
"created_at": "2022-09-04T14:40:57.164901Z",
"structure_string": "Ca1 La1 Pd2\n1.0\n-5.481465 5.945296 8.334516\n5.481465 -5.945296 8.334516\n5.481465 5.945296 -8.334516\nCa La Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.279140 0.279140 Pd\n0.000000 0.720860 0.720860 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-La-Pd",
"density": 0.5988651498948457,
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"volume": 1086.4518986620244,
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"formula_full": "Ca1 La1 Pd2",
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{
"id": "mp-1096643",
"created_at": "2022-09-04T14:40:31.009098Z",
"structure_string": "Li1 Tl2 Pd1\n1.0\n-5.508908 5.904297 8.334859\n5.508908 -5.904297 8.334859\n5.508908 5.904297 -8.334859\nLi Tl Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.263325 0.263325 Tl\n0.000000 0.736675 0.736675 Tl\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Pd-Tl",
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"volume": 1084.4061293225743,
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"updated_at": "2021-11-28T01:34:49.447000Z",
"spacegroup": 71
},
{
"id": "mp-1095908",
"created_at": "2022-09-04T14:48:24.178546Z",
"structure_string": "Ca2 Cu1 Pd1\n1.0\n-5.413710 5.947556 8.405684\n5.413710 -5.947556 8.405684\n5.413710 5.947556 -8.405684\nCa Cu Pd\n2 1 1\ndirect\n0.000000 0.262346 0.262346 Ca\n0.000000 0.737654 0.737654 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cu",
"Pd"
],
"chemical_system": "Ca-Cu-Pd",
"density": 0.3836493014346153,
"density_atomic": 0.003694821081733465,
"volume": 1082.596399532114,
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"formula_full": "Ca2 Cu1 Pd1",
"formula_reduced": "Ca2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.89352326,
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"energy_above_hull": null,
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"energy_uncorrected": -8.89352326,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.166000Z",
"spacegroup": 71
},
{
"id": "mp-1096582",
"created_at": "2022-09-04T14:47:08.380314Z",
"structure_string": "Sc2 Cu1 Hg1\n1.0\n-5.437066 5.931803 8.390638\n5.437066 -5.931803 8.390638\n5.437066 5.931803 -8.390638\nSc Cu Hg\n2 1 1\ndirect\n0.000000 0.231749 0.231749 Sc\n0.000000 0.768251 0.768251 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Sc",
"density": 0.543131169292508,
"density_atomic": 0.0036953339430813126,
"volume": 1082.4461500939872,
"volume_molar": 162.96607702465195,
"formula_full": "Sc2 Cu1 Hg1",
"formula_reduced": "Sc2CuHg",
"formula_anonymous": "ABC2",
"energy": -9.18390953,
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"energy_above_hull": null,
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"energy_uncorrected": -9.18390953,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:58.588000Z",
"spacegroup": 71
},
{
"id": "mp-1095962",
"created_at": "2022-09-04T14:39:57.693005Z",
"structure_string": "Li1 Ag2 Bi1\n1.0\n-5.430922 5.936887 8.390992\n5.430922 -5.936887 8.390992\n5.430922 5.936887 -8.390992\nLi Ag Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241651 0.241651 Ag\n0.000000 0.758349 0.758349 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
],
"chemical_system": "Ag-Bi-Li",
"density": 0.6623431418314778,
"density_atomic": 0.003696190485063141,
"volume": 1082.19530788919,
"volume_molar": 162.92831184800602,
"formula_full": "Li1 Ag2 Bi1",
"formula_reduced": "LiAg2Bi",
"formula_anonymous": "ABC2",
"energy": -6.67762912,
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"energy_above_hull": null,
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"energy_uncorrected": -6.67762912,
"band_gap": 0.4336000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.448000Z",
"spacegroup": 71
},
{
"id": "mp-1096246",
"created_at": "2022-09-04T14:43:16.491050Z",
"structure_string": "Hf2 Mn1 Fe1\n1.0\n-7.787867 7.787867 4.455471\n7.787867 -7.787867 4.455471\n7.787867 7.787867 -4.455471\nHf Mn Fe\n2 1 1\ndirect\n0.259131 0.259131 0.000000 Hf\n0.740869 0.740869 0.000000 Hf\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
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"elements": [
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"Mn",
"Fe"
],
"chemical_system": "Fe-Hf-Mn",
"density": 0.718595247545659,
"density_atomic": 0.003700575988581986,
"volume": 1080.912812584278,
"volume_molar": 162.73522766675055,
"formula_full": "Hf2 Mn1 Fe1",
"formula_reduced": "Hf2MnFe",
"formula_anonymous": "ABC2",
"energy": -23.34989379,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.34989379,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9960484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.468000Z",
"spacegroup": 139
},
{
"id": "mp-1093721",
"created_at": "2022-09-04T14:45:57.407177Z",
"structure_string": "Sc1 Hg2 Pd1\n1.0\n-5.589114 5.810132 8.316804\n5.589114 -5.810132 8.316804\n5.589114 5.810132 -8.316804\nSc Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.264683 0.264683 Hg\n0.000000 0.735317 0.735317 Hg\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
"Sc",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Sc",
"density": 0.8493367231190112,
"density_atomic": 0.003702666238798586,
"volume": 1080.3026095319601,
"volume_molar": 162.64335944991956,
"formula_full": "Sc1 Hg2 Pd1",
"formula_reduced": "ScHg2Pd",
"formula_anonymous": "ABC2",
"energy": -6.51668761,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.51668761,
"band_gap": 0.0,
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"total_magnetization": 1.9999986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.113000Z",
"spacegroup": 71
},
{
"id": "mp-1096055",
"created_at": "2022-09-04T14:43:40.199227Z",
"structure_string": "Y2 Zn1 Pd1\n1.0\n-5.362213 5.966677 8.440898\n5.362213 -5.966677 8.440898\n5.362213 5.966677 -8.440898\nY Zn Pd\n2 1 1\ndirect\n0.000000 0.262249 0.262249 Y\n0.000000 0.737751 0.737751 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
],
"chemical_system": "Pd-Y-Zn",
"density": 0.5374596256540602,
"density_atomic": 0.003702838393384039,
"volume": 1080.2523834545163,
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"formula_full": "Y2 Zn1 Pd1",
"formula_reduced": "Y2ZnPd",
"formula_anonymous": "ABC2",
"energy": -11.93895435,
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"energy_above_hull": null,
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"energy_uncorrected": -11.93895435,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2656509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.962000Z",
"spacegroup": 71
},
{
"id": "mp-1093568",
"created_at": "2022-09-04T14:41:22.581963Z",
"structure_string": "Y1 Zn2 Pd1\n1.0\n-5.486125 5.871096 8.384230\n5.486125 -5.871096 8.384230\n5.486125 5.871096 -8.384230\nY Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.280268 0.280268 Zn\n0.000000 0.719732 0.719732 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
],
"chemical_system": "Pd-Y-Zn",
"density": 0.501360639625841,
"density_atomic": 0.003702984857011826,
"volume": 1080.2096563872676,
"volume_molar": 162.62936502688396,
"formula_full": "Y1 Zn2 Pd1",
"formula_reduced": "YZn2Pd",
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"updated_at": "2021-11-28T01:35:19.430000Z",
"spacegroup": 71
},
{
"id": "mp-1096528",
"created_at": "2022-09-04T14:41:54.493847Z",
"structure_string": "Y2 In1 Ru1\n1.0\n-5.393808 5.905802 8.467446\n5.393808 -5.905802 8.467446\n5.393808 5.905802 -8.467446\nY In Ru\n2 1 1\ndirect\n0.000000 0.214180 0.214180 Y\n0.000000 0.785820 0.785820 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
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"density": 0.6059368831965967,
"density_atomic": 0.0037074320387306494,
"volume": 1078.913910818314,
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"formula_full": "Y2 In1 Ru1",
"formula_reduced": "Y2InRu",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:32.650000Z",
"spacegroup": 71
},
{
"id": "mp-1097655",
"created_at": "2022-09-04T14:40:54.610960Z",
"structure_string": "Sc2 Cd1 Os1\n1.0\n-5.403097 5.999952 8.303886\n5.403097 -5.999952 8.303886\n5.403097 5.999952 -8.303886\nSc Cd Os\n2 1 1\ndirect\n0.000000 0.292677 0.292677 Sc\n0.000000 0.707323 0.707323 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Os-Sc",
"density": 0.6053621918664731,
"density_atomic": 0.0037147370836001035,
"volume": 1076.7922224319134,
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"formula_full": "Sc2 Cd1 Os1",
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"energy": -15.73779547,
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"updated_at": "2021-11-28T01:35:01.558000Z",
"spacegroup": 71
},
{
"id": "mp-1097394",
"created_at": "2022-09-04T14:48:15.644719Z",
"structure_string": "La2 Zn1 Cd1\n1.0\n-5.401408 6.148133 8.105306\n5.401408 -6.148133 8.105306\n5.401408 6.148133 -8.105306\nLa Zn Cd\n2 1 1\ndirect\n0.759328 0.000000 0.759328 La\n0.240672 0.000000 0.240672 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-La-Zn",
"density": 0.7027205614304561,
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"volume": 1076.662641379899,
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"formula_full": "La2 Zn1 Cd1",
"formula_reduced": "La2ZnCd",
"formula_anonymous": "ABC2",
"energy": -4.12285582,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:46.762000Z",
"spacegroup": 71
}
]
}