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{
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"results": [
{
"id": "mp-1097183",
"created_at": "2022-09-04T14:41:35.270972Z",
"structure_string": "Li1 Pb1 Au2\n1.0\n-5.281349 5.997587 8.481456\n5.281349 -5.997587 8.481456\n5.281349 5.997587 -8.481456\nLi Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pb\n0.000000 0.238679 0.238679 Au\n0.000000 0.761321 0.761321 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Li-Pb",
"density": 0.9396233524684197,
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"volume": 1074.6123527959635,
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"formula_full": "Li1 Pb1 Au2",
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"spacegroup": 71
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{
"id": "mp-1093716",
"created_at": "2022-09-04T14:42:55.448472Z",
"structure_string": "Y1 Pd1 Au2\n1.0\n-5.218670 6.040731 8.525827\n5.218670 -6.040731 8.525827\n5.218670 6.040731 -8.525827\nY Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pd\n0.000000 0.251801 0.251801 Au\n0.000000 0.748199 0.748199 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Pd-Y",
"density": 0.9101426658516264,
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"volume": 1075.092517505048,
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"formula_full": "Y1 Pd1 Au2",
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"total_magnetization": 0.9998348,
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"updated_at": "2021-11-28T01:36:09.496000Z",
"spacegroup": 71
},
{
"id": "mp-1095850",
"created_at": "2022-09-04T14:40:38.712294Z",
"structure_string": "Li1 Sc2 Ga1\n1.0\n-5.718306 5.852933 8.032961\n5.718306 -5.852933 8.032961\n5.718306 5.852933 -8.032961\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.721416 0.000000 0.721416 Sc\n0.278584 0.000000 0.278584 Sc\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Ga"
],
"chemical_system": "Ga-Li-Sc",
"density": 0.2572080006419708,
"density_atomic": 0.0037194900143478196,
"volume": 1075.4162491551588,
"volume_molar": 161.90770070008995,
"formula_full": "Li1 Sc2 Ga1",
"formula_reduced": "LiSc2Ga",
"formula_anonymous": "ABC2",
"energy": -9.21942715,
"energy_per_atom": -2.3048567875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -9.21942715,
"band_gap": 0.2407000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.409000Z",
"spacegroup": 71
},
{
"id": "mp-1097541",
"created_at": "2022-09-04T14:43:09.420048Z",
"structure_string": "Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Pd"
],
"chemical_system": "Hg-Mg-Pd",
"density": 0.5489817456681741,
"density_atomic": 0.00371862701560853,
"volume": 1075.6658259111327,
"volume_molar": 161.94527535896242,
"formula_full": "Mg2 Hg1 Pd1",
"formula_reduced": "Mg2HgPd",
"formula_anonymous": "ABC2",
"energy": -4.97436321,
"energy_per_atom": -1.2435908025,
"energy_above_hull": null,
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"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -4.97436321,
"band_gap": 0.5150000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.158000Z",
"spacegroup": 71
},
{
"id": "mp-1097460",
"created_at": "2022-09-04T14:43:18.884681Z",
"structure_string": "Li1 Sc1 Ag2\n1.0\n-5.449208 5.932153 8.323306\n5.449208 -5.932153 8.323306\n5.449208 5.932153 -8.323306\nLi Sc Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.244292 0.244292 Ag\n0.000000 0.755708 0.755708 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Ag"
],
"chemical_system": "Ag-Li-Sc",
"density": 0.41294069470496364,
"density_atomic": 0.0037167077167207913,
"volume": 1076.2212971455162,
"volume_molar": 162.02890350800214,
"formula_full": "Li1 Sc1 Ag2",
"formula_reduced": "LiScAg2",
"formula_anonymous": "ABC2",
"energy": -8.16715848,
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"energy_uncorrected": -8.16715848,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.846371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.278000Z",
"spacegroup": 71
},
{
"id": "mp-1097480",
"created_at": "2022-09-04T14:48:09.759013Z",
"structure_string": "Mg1 Sc2 Ir1\n1.0\n-5.452479 5.921200 8.334032\n5.452479 -5.921200 8.334032\n5.452479 5.921200 -8.334032\nMg Sc Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.290354 0.290354 Sc\n0.000000 0.709646 0.709646 Sc\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
"Mg",
"Sc",
"Ir"
],
"chemical_system": "Ir-Mg-Sc",
"density": 0.47278850749315293,
"density_atomic": 0.0037165596221101402,
"volume": 1076.2641815844008,
"volume_molar": 162.03535991118653,
"formula_full": "Mg1 Sc2 Ir1",
"formula_reduced": "MgSc2Ir",
"formula_anonymous": "ABC2",
"energy": -15.06540913,
"energy_per_atom": -3.7663522825,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -15.06540913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.011000Z",
"spacegroup": 71
},
{
"id": "mp-1097391",
"created_at": "2022-09-04T14:44:19.977502Z",
"structure_string": "Sc2 In1 Pt1\n1.0\n-5.328562 5.976856 8.449672\n5.328562 -5.976856 8.449672\n5.328562 5.976856 -8.449672\nSc In Pt\n2 1 1\ndirect\n0.000000 0.274887 0.274887 Sc\n0.000000 0.725113 0.725113 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Pt"
],
"chemical_system": "In-Pt-Sc",
"density": 0.6167714264993092,
"density_atomic": 0.0037160139299319585,
"volume": 1076.422229685571,
"volume_molar": 162.05915460898896,
"formula_full": "Sc2 In1 Pt1",
"formula_reduced": "Sc2InPt",
"formula_anonymous": "ABC2",
"energy": -14.78421519,
"energy_per_atom": -3.6960537975,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -14.78421519,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0000211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.844000Z",
"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": [
"La",
"Zn",
"Cd"
],
"chemical_system": "Cd-La-Zn",
"density": 0.7027205614304561,
"density_atomic": 0.00371518416843499,
"volume": 1076.662641379899,
"volume_molar": 162.0953494355788,
"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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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.762000Z",
"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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"Cd",
"Os"
],
"chemical_system": "Cd-Os-Sc",
"density": 0.6053621918664731,
"density_atomic": 0.0037147370836001035,
"volume": 1076.7922224319134,
"volume_molar": 162.11485831895527,
"formula_full": "Sc2 Cd1 Os1",
"formula_reduced": "Sc2CdOs",
"formula_anonymous": "ABC2",
"energy": -15.73779547,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.558000Z",
"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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"In",
"Ru"
],
"chemical_system": "In-Ru-Y",
"density": 0.6059368831965967,
"density_atomic": 0.0037074320387306494,
"volume": 1078.913910818314,
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"formula_full": "Y2 In1 Ru1",
"formula_reduced": "Y2InRu",
"formula_anonymous": "ABC2",
"energy": -16.52585759,
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"updated_at": "2021-11-28T01:35:32.650000Z",
"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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],
"chemical_system": "Pd-Y-Zn",
"density": 0.501360639625841,
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"volume": 1080.2096563872676,
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"formula_full": "Y1 Zn2 Pd1",
"formula_reduced": "YZn2Pd",
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"energy": -7.45954186,
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"updated_at": "2021-11-28T01:35:19.430000Z",
"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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],
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"density": 0.5374596256540602,
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"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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"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
}
]
}