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{
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"results": [
{
"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",
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{
"id": "mp-1097162",
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"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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"volume": 1671.1279426692533,
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"total_magnetization": 1.6e-06,
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"updated_at": "2021-11-28T01:38:21.627000Z",
"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,
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"elements": [
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"Ga",
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],
"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_uncorrected": -8.5343415,
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"updated_at": "2021-11-28T01:38:34.038000Z",
"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,
"energy_per_atom": -0.5901865575,
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"energy_uncorrected": -2.36074623,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.577000Z",
"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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],
"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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"energy_uncorrected": -1.75022188,
"band_gap": 0.0,
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"total_magnetization": 0.9998618,
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"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
},
{
"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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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mg",
"density": 0.53787935603237,
"density_atomic": 0.0036193270108152618,
"volume": 1105.1778377712797,
"volume_molar": 166.38841259727727,
"formula_full": "Mg2 Cd1 Au1",
"formula_reduced": "Mg2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.42390708,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -4.42390708,
"band_gap": 0.008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.341000Z",
"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,
"volume_molar": 162.63579773721483,
"formula_full": "Y2 Zn1 Pd1",
"formula_reduced": "Y2ZnPd",
"formula_anonymous": "ABC2",
"energy": -11.93895435,
"energy_per_atom": -2.9847385875,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": 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-1095806",
"created_at": "2022-09-04T14:45:06.921529Z",
"structure_string": "Li1 In2 Ag1\n1.0\n-5.601968 5.762963 8.245435\n5.601968 -5.762963 8.245435\n5.601968 5.762963 -8.245435\nLi In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.255771 0.255771 In\n0.000000 0.744229 0.744229 In\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"In",
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],
"chemical_system": "Ag-In-Li",
"density": 0.5371668653727991,
"density_atomic": 0.0037566434091703144,
"volume": 1064.78032762855,
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"formula_full": "Li1 In2 Ag1",
"formula_reduced": "LiIn2Ag",
"formula_anonymous": "ABC2",
"energy": -6.04916676,
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"energy_uncorrected": -6.04916676,
"band_gap": 0.056,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.078000Z",
"spacegroup": 71
},
{
"id": "mp-1096218",
"created_at": "2022-09-04T14:44:45.898244Z",
"structure_string": "Y2 Tl1 Cu1\n1.0\n-5.830877 5.846635 10.105070\n5.830877 -5.846635 10.105070\n5.830877 5.846635 -10.105070\nY Tl Cu\n2 1 1\ndirect\n0.000000 0.240279 0.240279 Y\n0.000000 0.759721 0.759721 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-Tl-Y",
"density": 0.5371461911561748,
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"volume": 1377.9681514490096,
"volume_molar": 207.45795427057334,
"formula_full": "Y2 Tl1 Cu1",
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"updated_at": "2021-11-28T01:36:43.976000Z",
"spacegroup": 71
},
{
"id": "mp-1213556",
"created_at": "2022-09-04T14:39:57.823601Z",
"structure_string": "Er2 Ga12\n1.0\n14.309414 0.000000 0.000000\n0.000000 14.309414 0.000000\n0.000000 0.000000 17.699330\nEr Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.872366 0.000000 0.351162 Ga\n0.127634 0.000000 0.351162 Ga\n0.000000 0.872366 0.351162 Ga\n0.000000 0.127634 0.648838 Ga\n0.127634 0.000000 0.648838 Ga\n0.000000 0.127634 0.351162 Ga\n0.000000 0.872366 0.648838 Ga\n0.872366 0.000000 0.648838 Ga\n0.000000 0.500000 0.159208 Ga\n0.500000 0.000000 0.159208 Ga\n0.500000 0.000000 0.840792 Ga\n0.000000 0.500000 0.840792 Ga\n",
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"elements": [
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],
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"volume": 3624.1029349636638,
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"formula_full": "Er2 Ga12",
"formula_reduced": "ErGa6",
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"energy": -23.0673067,
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"updated_at": "2021-11-28T01:34:44.090000Z",
"spacegroup": 123
},
{
"id": "mp-672234",
"created_at": "2022-09-04T14:43:59.913119Z",
"structure_string": "N4\n1.0\n5.577698 0.000000 0.000000\n0.000000 5.577698 0.000000\n0.000000 0.000000 5.577698\nN\n4\ndirect\n0.471208 0.971208 0.528792 N\n0.971208 0.528792 0.471208 N\n0.028792 0.028792 0.028792 N\n0.528792 0.471208 0.971208 N\n",
"nsites": 4,
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"volume": 173.52617271807617,
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"formula_full": "N4",
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"formula_anonymous": "A",
"energy": -12.49627799,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:08.563000Z",
"spacegroup": 198
},
{
"id": "mp-1093592",
"created_at": "2022-09-04T14:39:31.133582Z",
"structure_string": "Li2 Sn1 Bi1\n1.0\n-5.591259 5.783995 8.178281\n5.591259 -5.783995 8.178281\n5.591259 5.783995 -8.178281\nLi Sn Bi\n2 1 1\ndirect\n0.000000 0.250168 0.250168 Li\n0.000000 0.749832 0.749832 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.5361327408081622,
"density_atomic": 0.0037809458051143554,
"volume": 1057.936348780598,
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"formula_full": "Li2 Sn1 Bi1",
"formula_reduced": "Li2SnBi",
"formula_anonymous": "ABC2",
"energy": -7.55611391,
"energy_per_atom": -1.8890284775,
"energy_above_hull": null,
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"energy_uncorrected": -7.55611391,
"band_gap": 0.0878999999999998,
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"updated_at": "2021-11-28T01:34:40.684000Z",
"spacegroup": 71
}
]
}