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{
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"results": [
{
"id": "mp-1093713",
"created_at": "2022-09-04T14:42:06.810961Z",
"structure_string": "Mg2 In1 Pb1\n1.0\n-5.785181 6.204405 8.768864\n5.785181 -6.204405 8.768864\n5.785181 6.204405 -8.768864\nMg In Pb\n2 1 1\ndirect\n0.000000 0.253201 0.253201 Mg\n0.000000 0.746799 0.746799 Mg\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Mg-Pb",
"density": 0.4888401935319823,
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"volume": 1258.9845952091487,
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"formula_full": "Mg2 In1 Pb1",
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{
"id": "mp-1097232",
"created_at": "2022-09-04T14:43:09.679160Z",
"structure_string": "Y2 Zn1 Ag1\n1.0\n-5.825033 6.189947 8.749519\n5.825033 -6.189947 8.749519\n5.825033 6.189947 -8.749519\nY Zn Ag\n2 1 1\ndirect\n0.000000 0.244048 0.244048 Y\n0.000000 0.755952 0.755952 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Y-Zn",
"density": 0.4619943943726982,
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"volume": 1261.9132210277598,
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"formula_reduced": "Y2ZnAg",
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"updated_at": "2021-11-28T01:35:53.884000Z",
"spacegroup": 71
},
{
"id": "mp-1096562",
"created_at": "2022-09-04T14:41:59.349222Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-6.061325 6.065944 8.586862\n6.061325 -6.065944 8.586862\n6.061325 6.065944 -8.586862\nCa Zn Ga\n2 1 1\ndirect\n0.000000 0.263078 0.263078 Ca\n0.000000 0.736922 0.736922 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 0.2830795381878252,
"density_atomic": 0.0031673754706848544,
"volume": 1262.8752217794736,
"volume_molar": 190.1303086968052,
"formula_full": "Ca2 Zn1 Ga1",
"formula_reduced": "Ca2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.2831717,
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"is_stable": null,
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"energy_uncorrected": -3.2831717,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9999048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.806000Z",
"spacegroup": 71
},
{
"id": "mp-1096029",
"created_at": "2022-09-04T14:47:25.406846Z",
"structure_string": "Ca1 Ag2 Pb1\n1.0\n-5.703744 6.521317 8.492713\n5.703744 -6.521317 8.492713\n5.703744 6.521317 -8.492713\nCa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.250137 0.250137 Ag\n0.000000 0.749863 0.749863 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 0.608473711359912,
"density_atomic": 0.0031656158770313057,
"volume": 1263.5771854136563,
"volume_molar": 190.23599179214142,
"formula_full": "Ca1 Ag2 Pb1",
"formula_reduced": "CaAg2Pb",
"formula_anonymous": "ABC2",
"energy": -6.65761874,
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"energy_above_hull": null,
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"energy_uncorrected": -6.65761874,
"band_gap": 0.8364000000000003,
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"is_magnetic": true,
"total_magnetization": 1.9308047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.708000Z",
"spacegroup": 71
},
{
"id": "mp-1096713",
"created_at": "2022-09-04T14:42:21.657960Z",
"structure_string": "Nb2 V1 W1\n1.0\n-4.539459 6.774337 10.275086\n4.539459 -6.774337 10.275086\n4.539459 6.774337 -10.275086\nNb V W\n2 1 1\ndirect\n0.000000 0.249780 0.249780 Nb\n0.000000 0.750220 0.750220 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
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"elements": [
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"V",
"W"
],
"chemical_system": "Nb-V-W",
"density": 0.5525811763402506,
"density_atomic": 0.003164780828342603,
"volume": 1263.9105887451933,
"volume_molar": 190.28618683695063,
"formula_full": "Nb2 V1 W1",
"formula_reduced": "Nb2VW",
"formula_anonymous": "ABC2",
"energy": -23.91505734,
"energy_per_atom": -5.978764335,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.91505734,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8541331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.910000Z",
"spacegroup": 71
},
{
"id": "mp-1096127",
"created_at": "2022-09-04T14:39:07.027751Z",
"structure_string": "Y2 Cu1 Ag1\n1.0\n-5.509953 6.507968 8.812294\n5.509953 -6.507968 8.812294\n5.509953 6.507968 -8.812294\nY Cu Ag\n2 1 1\ndirect\n0.000000 0.231525 0.231525 Y\n0.000000 0.768475 0.768475 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Y",
"density": 0.4587892891817398,
"density_atomic": 0.0031645919498955594,
"volume": 1263.9860251594243,
"volume_molar": 190.29754405457388,
"formula_full": "Y2 Cu1 Ag1",
"formula_reduced": "Y2CuAg",
"formula_anonymous": "ABC2",
"energy": -11.24260021,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.24260021,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.4339233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.480000Z",
"spacegroup": 71
},
{
"id": "mp-1095788",
"created_at": "2022-09-04T14:45:38.643094Z",
"structure_string": "Y2 Al1 Ag1\n1.0\n-5.900289 6.182054 8.672676\n5.900289 -6.182054 8.672676\n5.900289 6.182054 -8.672676\nY Al Ag\n2 1 1\ndirect\n0.000000 0.245347 0.245347 Y\n0.000000 0.754653 0.754653 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
"Y",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Y",
"density": 0.41030256074123755,
"density_atomic": 0.003161118668026333,
"volume": 1265.3748308972622,
"volume_molar": 190.50663364561277,
"formula_full": "Y2 Al1 Ag1",
"formula_reduced": "Y2AlAg",
"formula_anonymous": "ABC2",
"energy": -10.62129332,
"energy_per_atom": -2.65532333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -10.62129332,
"band_gap": 0.1,
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"is_magnetic": true,
"total_magnetization": 4.0003887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.458000Z",
"spacegroup": 71
},
{
"id": "mp-1095949",
"created_at": "2022-09-04T14:47:17.848030Z",
"structure_string": "Ti1 Cd1 Au2\n1.0\n-5.480397 6.379191 9.050273\n5.480397 -6.379191 9.050273\n5.480397 6.379191 -9.050273\nTi Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.230258 0.230258 Au\n0.000000 0.769742 0.769742 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Ti",
"density": 0.7271517444845501,
"density_atomic": 0.003160535659013628,
"volume": 1265.6082485866843,
"volume_molar": 190.5417755001521,
"formula_full": "Ti1 Cd1 Au2",
"formula_reduced": "TiCdAu2",
"formula_anonymous": "ABC2",
"energy": -10.09181522,
"energy_per_atom": -2.522953805,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -10.09181522,
"band_gap": 0.3725,
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"is_magnetic": true,
"total_magnetization": 1.999898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.970000Z",
"spacegroup": 71
},
{
"id": "mp-1095780",
"created_at": "2022-09-04T14:44:52.497276Z",
"structure_string": "La2 Zn1 Hg1\n1.0\n-6.060998 6.181054 8.445720\n6.060998 -6.181054 8.445720\n6.060998 6.181054 -8.445720\nLa Zn Hg\n2 1 1\ndirect\n0.000000 0.242658 0.242658 La\n0.000000 0.757342 0.757342 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Zn",
"Hg"
],
"chemical_system": "Hg-La-Zn",
"density": 0.7134982134475822,
"density_atomic": 0.0031605061686623406,
"volume": 1265.6200578443954,
"volume_molar": 190.54355342545728,
"formula_full": "La2 Zn1 Hg1",
"formula_reduced": "La2ZnHg",
"formula_anonymous": "ABC2",
"energy": -3.89932219,
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"energy_above_hull": null,
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"energy_uncorrected": -3.89932219,
"band_gap": 0.0565999999999999,
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"total_magnetization": 0.055845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.167000Z",
"spacegroup": 71
},
{
"id": "mp-1093705",
"created_at": "2022-09-04T14:42:47.106344Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-6.365558 6.783296 7.330611\n6.365558 -6.783296 7.330611\n6.365558 6.783296 -7.330611\nK Hg Se\n2 1 1\ndirect\n0.209359 0.000000 0.209359 K\n0.790641 0.000000 0.790641 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Hg-K-Se",
"density": 0.46918832695965723,
"density_atomic": 0.003159239695221587,
"volume": 1266.127418584313,
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"formula_full": "K2 Hg1 Se1",
"formula_reduced": "K2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.7494384400000005,
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"band_gap": 0.2547999999999999,
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"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.179000Z",
"spacegroup": 71
},
{
"id": "mp-1096707",
"created_at": "2022-09-04T14:43:36.146734Z",
"structure_string": "Y2 Hg1 Pt1\n1.0\n-5.714323 6.244516 8.879777\n5.714323 -6.244516 8.879777\n5.714323 6.244516 -8.879777\nY Hg Pt\n2 1 1\ndirect\n0.000000 0.220799 0.220799 Y\n0.000000 0.779201 0.779201 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"density": 0.7513565419719944,
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"volume": 1267.4347740249564,
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"formula_full": "Y2 Hg1 Pt1",
"formula_reduced": "Y2HgPt",
"formula_anonymous": "ABC2",
"energy": -13.21873999,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:15.732000Z",
"spacegroup": 71
},
{
"id": "mp-1096147",
"created_at": "2022-09-04T14:45:15.245209Z",
"structure_string": "V1 In1 Ru2\n1.0\n-4.760359 5.754990 11.586303\n4.760359 -5.754990 11.586303\n4.760359 5.754990 -11.586303\nV In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 In\n0.000000 0.212350 0.212350 Ru\n0.000000 0.787650 0.787650 Ru\n",
"nsites": 4,
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"elements": [
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"In",
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"chemical_system": "In-Ru-V",
"density": 0.48115958603107417,
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"volume": 1269.665013580656,
"volume_molar": 191.15253574575055,
"formula_full": "V1 In1 Ru2",
"formula_reduced": "VInRu2",
"formula_anonymous": "ABC2",
"energy": -19.43579083,
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"energy_above_hull": null,
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"energy_uncorrected": -19.43579083,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.1640666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.703000Z",
"spacegroup": 71
}
]
}