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{
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"results": [
{
"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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"density": 0.5374596256540602,
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"volume": 1080.2523834545163,
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"formula_full": "Y2 Zn1 Pd1",
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{
"id": "mp-1096597",
"created_at": "2022-09-04T14:48:03.317115Z",
"structure_string": "Mg2 Cd1 Au1\n1.0\n-5.516789 5.953768 8.411896\n5.516789 -5.953768 8.411896\n5.516789 5.953768 -8.411896\nMg Cd Au\n2 1 1\ndirect\n0.000000 0.264358 0.264358 Mg\n0.000000 0.735642 0.735642 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.53787935603237,
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"volume": 1105.1778377712797,
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"band_gap": 0.008,
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"updated_at": "2021-11-28T01:38:24.341000Z",
"spacegroup": 71
},
{
"id": "mp-1096533",
"created_at": "2022-09-04T14:47:24.200500Z",
"structure_string": "Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg-Tl",
"density": 0.5380670646177989,
"density_atomic": 0.002857526370629769,
"volume": 1399.8121036126927,
"volume_molar": 210.74663813768348,
"formula_full": "Mg2 Tl1 Hg1",
"formula_reduced": "Mg2TlHg",
"formula_anonymous": "ABC2",
"energy": -1.75022188,
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"is_stable": null,
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"energy_uncorrected": -1.75022188,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
},
{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Hg"
],
"chemical_system": "Hg-Sr-Tl",
"density": 0.538861376831591,
"density_atomic": 0.0022371766124828097,
"volume": 1787.967913521506,
"volume_molar": 269.18486123975043,
"formula_full": "Sr2 Tl1 Hg1",
"formula_reduced": "Sr2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.36074623,
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"energy_uncorrected": -2.36074623,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:44.577000Z",
"spacegroup": 71
},
{
"id": "mp-1093980",
"created_at": "2022-09-04T14:48:06.826402Z",
"structure_string": "Sc2 Ga1 Hg1\n1.0\n-5.749744 5.779442 8.346705\n5.749744 -5.779442 8.346705\n5.749744 5.779442 -8.346705\nSc Ga Hg\n2 1 1\ndirect\n0.000000 0.231699 0.231699 Sc\n0.000000 0.768301 0.768301 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Sc",
"density": 0.5391545333118021,
"density_atomic": 0.0036053756163321247,
"volume": 1109.4544440474529,
"volume_molar": 167.03227072153265,
"formula_full": "Sc2 Ga1 Hg1",
"formula_reduced": "Sc2GaHg",
"formula_anonymous": "ABC2",
"energy": -8.5343415,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -8.5343415,
"band_gap": 0.1114999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0065191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.038000Z",
"spacegroup": 71
},
{
"id": "mp-1097162",
"created_at": "2022-09-04T14:47:44.312284Z",
"structure_string": "Cs2 Au1 Br1\n1.0\n-6.635522 6.709702 9.383641\n6.635522 -6.709702 9.383641\n6.635522 6.709702 -9.383641\nCs Au Br\n2 1 1\ndirect\n0.249900 0.000000 0.249900 Cs\n0.750100 0.000000 0.750100 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Au",
"Br"
],
"chemical_system": "Au-Br-Cs",
"density": 0.539242845084051,
"density_atomic": 0.0023935929128268267,
"volume": 1671.1279426692533,
"volume_molar": 251.59419246808633,
"formula_full": "Cs2 Au1 Br1",
"formula_reduced": "Cs2AuBr",
"formula_anonymous": "ABC2",
"energy": -9.84241894,
"energy_per_atom": -2.460604735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.30841894,
"band_gap": 3.1697,
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"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.627000Z",
"spacegroup": 71
},
{
"id": "mp-1095851",
"created_at": "2022-09-04T14:40:04.197355Z",
"structure_string": "Y1 Mg1 Pd2\n1.0\n-5.072595 5.911230 8.363559\n5.072595 -5.911230 8.363559\n5.072595 5.911230 -8.363559\nY Mg Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.261640 0.261640 Pd\n0.000000 0.738360 0.738360 Pd\n",
"nsites": 4,
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"elements": [
"Y",
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Y",
"density": 0.5397284002061189,
"density_atomic": 0.00398750121256743,
"volume": 1003.134491192925,
"volume_molar": 151.0254276793694,
"formula_full": "Y1 Mg1 Pd2",
"formula_reduced": "YMgPd2",
"formula_anonymous": "ABC2",
"energy": -13.78218625,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -13.78218625,
"band_gap": 0.012,
"is_gap_direct": false,
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"total_magnetization": 0.0004203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.731000Z",
"spacegroup": 71
},
{
"id": "mp-1095959",
"created_at": "2022-09-04T14:42:27.085966Z",
"structure_string": "Sc2 Tl1 Rh1\n1.0\n-5.192000 6.327778 9.291301\n5.192000 -6.327778 9.291301\n5.192000 6.327778 -9.291301\nSc Tl Rh\n2 1 1\ndirect\n0.000000 0.218552 0.218552 Sc\n0.000000 0.781448 0.781448 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
"Sc",
"Tl",
"Rh"
],
"chemical_system": "Rh-Sc-Tl",
"density": 0.5401776119199754,
"density_atomic": 0.003275952170213027,
"volume": 1221.0190479490088,
"volume_molar": 183.828714434753,
"formula_full": "Sc2 Tl1 Rh1",
"formula_reduced": "Sc2TlRh",
"formula_anonymous": "ABC2",
"energy": -15.25368354,
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"energy_above_hull": null,
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"energy_uncorrected": -15.25368354,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.680000Z",
"spacegroup": 71
},
{
"id": "mp-1097612",
"created_at": "2022-09-04T14:42:10.202638Z",
"structure_string": "Na1 Ag2 Sn1\n1.0\n-5.378962 5.779855 8.833547\n5.378962 -5.779855 8.833547\n5.378962 5.779855 -8.833547\nNa Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.261581 0.000000 0.261581 Ag\n0.738419 0.000000 0.738419 Ag\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Ag",
"Sn"
],
"chemical_system": "Ag-Na-Sn",
"density": 0.5403026026167213,
"density_atomic": 0.0036412412696016864,
"volume": 1098.5264924335975,
"volume_molar": 165.387029150605,
"formula_full": "Na1 Ag2 Sn1",
"formula_reduced": "NaAg2Sn",
"formula_anonymous": "ABC2",
"energy": -6.13477469,
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"energy_above_hull": null,
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"energy_uncorrected": -6.13477469,
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"updated_at": "2021-11-28T01:35:43.377000Z",
"spacegroup": 71
},
{
"id": "mp-1095998",
"created_at": "2022-09-04T14:45:19.661617Z",
"structure_string": "Be1 Fe2 P1\n1.0\n-4.282575 4.426611 6.146749\n4.282575 -4.426611 6.146749\n4.282575 4.426611 -6.146749\nBe Fe P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.257260 0.000000 0.257260 Fe\n0.742740 0.000000 0.742740 Fe\n0.500000 0.000000 0.500000 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.540361000536563,
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"volume": 466.1029019957773,
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"formula_full": "Be1 Fe2 P1",
"formula_reduced": "BeFe2P",
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"updated_at": "2021-11-28T01:37:05.520000Z",
"spacegroup": 71
},
{
"id": "mp-1097463",
"created_at": "2022-09-04T14:48:03.459065Z",
"structure_string": "Li1 Zn1 Cu2\n1.0\n-4.693046 4.919308 6.635100\n4.693046 -4.919308 6.635100\n4.693046 4.919308 -6.635100\nLi Zn Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n0.259414 0.000000 0.259414 Cu\n0.740586 0.000000 0.740586 Cu\n",
"nsites": 4,
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"density": 0.5405046421212351,
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"volume": 612.7259725672316,
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"formula_full": "Li1 Zn1 Cu2",
"formula_reduced": "LiZnCu2",
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"energy": -6.12215522,
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"updated_at": "2021-11-28T01:38:24.960000Z",
"spacegroup": 71
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{
"id": "mp-1095940",
"created_at": "2022-09-04T14:40:33.803863Z",
"structure_string": "Zr2 Zn1 Cu1\n1.0\n-5.301729 5.641001 7.996704\n5.301729 -5.641001 7.996704\n5.301729 5.641001 -7.996704\nZr Zn Cu\n2 1 1\ndirect\n0.000000 0.240529 0.240529 Zr\n0.000000 0.759471 0.759471 Zr\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.540539176874299,
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"volume": 956.6315802428679,
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"formula_full": "Zr2 Zn1 Cu1",
"formula_reduced": "Zr2ZnCu",
"formula_anonymous": "ABC2",
"energy": -10.52229199,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:02.898000Z",
"spacegroup": 71
}
]
}