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{
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"results": [
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
"nsites": 4,
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"elements": [
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"volume": 1106.7342895013908,
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"formula_full": "Li1 Y1 Zn2",
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{
"id": "mp-1093795",
"created_at": "2022-09-04T14:43:55.433939Z",
"structure_string": "Ca1 In1 Pd2\n1.0\n-5.089499 6.222737 8.735357\n5.089499 -6.222737 8.735357\n5.089499 6.222737 -8.735357\nCa In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.246111 0.246111 Pd\n0.000000 0.753889 0.753889 Pd\n",
"nsites": 4,
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"elements": [
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"In",
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"chemical_system": "Ca-In-Pd",
"density": 0.5518081566036852,
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"volume": 1106.6164696687983,
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"formula_full": "Ca1 In1 Pd2",
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"updated_at": "2021-11-28T01:36:26.397000Z",
"spacegroup": 71
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
"volume_molar": 166.6016219185138,
"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
"formula_anonymous": "ABC2",
"energy": -2.57092258,
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"energy_above_hull": null,
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"energy_uncorrected": -2.57092258,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.1475153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
},
{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Al"
],
"chemical_system": "Al-La-Li",
"density": 0.26986194466553454,
"density_atomic": 0.0036160773867777696,
"volume": 1106.1710168665218,
"volume_molar": 166.5379392050632,
"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
"formula_anonymous": "ABC2",
"energy": -4.86073925,
"energy_per_atom": -1.2151848125,
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"energy_uncorrected": -4.86073925,
"band_gap": 0.125,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.034000Z",
"spacegroup": 12
},
{
"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,
"nelements": 3,
"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mg",
"density": 0.53787935603237,
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"volume": 1105.1778377712797,
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"formula_full": "Mg2 Cd1 Au1",
"formula_reduced": "Mg2CdAu",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -4.42390708,
"band_gap": 0.008,
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"total_magnetization": 0.0010663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.341000Z",
"spacegroup": 71
},
{
"id": "mp-1093540",
"created_at": "2022-09-04T14:45:25.637902Z",
"structure_string": "Li2 Ga1 Bi1\n1.0\n-5.607527 5.901897 8.348271\n5.607527 -5.901897 8.348271\n5.607527 5.901897 -8.348271\nLi Ga Bi\n2 1 1\ndirect\n0.000000 0.248974 0.248974 Li\n0.000000 0.751026 0.751026 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Li",
"density": 0.43962483598251206,
"density_atomic": 0.0036194323363961623,
"volume": 1105.145677065693,
"volume_molar": 166.3835706898777,
"formula_full": "Li2 Ga1 Bi1",
"formula_reduced": "Li2GaBi",
"formula_anonymous": "ABC2",
"energy": -6.73243279,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.73243279,
"band_gap": 0.0011000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.295000Z",
"spacegroup": 71
},
{
"id": "mp-1096086",
"created_at": "2022-09-04T14:41:19.314235Z",
"structure_string": "La1 Pd2 Pb1\n1.0\n-5.061824 6.219890 8.772139\n5.061824 -6.219890 8.772139\n5.061824 6.219890 -8.772139\nLa Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.232171 0.232171 Pd\n0.000000 0.767829 0.767829 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pd",
"Pb"
],
"chemical_system": "La-Pb-Pd",
"density": 0.8401625079480679,
"density_atomic": 0.0036208017829620232,
"volume": 1104.727692861378,
"volume_molar": 166.32064169703165,
"formula_full": "La1 Pd2 Pb1",
"formula_reduced": "LaPd2Pb",
"formula_anonymous": "ABC2",
"energy": -14.89694231,
"energy_per_atom": -3.7242355775,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -14.89694231,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.994000Z",
"spacegroup": 71
},
{
"id": "mp-1097465",
"created_at": "2022-09-04T14:42:18.911150Z",
"structure_string": "Li1 Hf1 Hg2\n1.0\n-5.700303 5.853177 8.273968\n5.700303 -5.853177 8.273968\n5.700303 5.853177 -8.273968\nLi Hf Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Hf\n0.000000 0.240055 0.240055 Hg\n0.000000 0.759945 0.759945 Hg\n",
"nsites": 4,
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"elements": [
"Li",
"Hf",
"Hg"
],
"chemical_system": "Hf-Hg-Li",
"density": 0.8821366644480381,
"density_atomic": 0.003622401328784362,
"volume": 1104.2398776234868,
"volume_molar": 166.2471993963453,
"formula_full": "Li1 Hf1 Hg2",
"formula_reduced": "LiHfHg2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -5.94347157,
"band_gap": 0.0502000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.244000Z",
"spacegroup": 71
},
{
"id": "mp-1096604",
"created_at": "2022-09-04T14:39:45.800485Z",
"structure_string": "Mg2 Zn1 Cd1\n1.0\n-5.584512 5.909793 8.355471\n5.584512 -5.909793 8.355471\n5.584512 5.909793 -8.355471\nMg Zn Cd\n2 1 1\ndirect\n0.000000 0.244473 0.244473 Mg\n0.000000 0.755527 0.755527 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 0.3408745979505121,
"density_atomic": 0.0036263654305097263,
"volume": 1103.0327959633553,
"volume_molar": 166.06546900469215,
"formula_full": "Mg2 Zn1 Cd1",
"formula_reduced": "Mg2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.10998129,
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"band_gap": 0.0691999999999999,
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"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.128000Z",
"spacegroup": 71
},
{
"id": "mp-1097401",
"created_at": "2022-09-04T14:43:57.937336Z",
"structure_string": "Mg2 Cd1 Pd1\n1.0\n-5.594104 5.907252 8.340220\n5.594104 -5.907252 8.340220\n5.594104 5.907252 -8.340220\nMg Cd Pd\n2 1 1\ndirect\n0.000000 0.222684 0.222684 Mg\n0.000000 0.777316 0.777316 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Mg-Pd",
"density": 0.40283161995670325,
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"volume": 1102.436369216256,
"volume_molar": 165.97567485909062,
"formula_full": "Mg2 Cd1 Pd1",
"formula_reduced": "Mg2CdPd",
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"total_magnetization": 7.25e-05,
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"updated_at": "2021-11-28T01:36:11.135000Z",
"spacegroup": 71
},
{
"id": "mp-1096566",
"created_at": "2022-09-04T14:48:13.267904Z",
"structure_string": "Y1 Sb1 Au2\n1.0\n-5.316308 6.054014 8.562155\n5.316308 -6.054014 8.562155\n5.316308 6.054014 -8.562155\nY Sb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Sb\n0.000000 0.249270 0.249270 Au\n0.000000 0.750730 0.750730 Au\n",
"nsites": 4,
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"volume": 1102.291939511463,
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"formula_full": "Y1 Sb1 Au2",
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"energy_above_hull": null,
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"energy_uncorrected": -12.45097545,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:28.453000Z",
"spacegroup": 71
},
{
"id": "mp-1097307",
"created_at": "2022-09-04T14:45:59.227131Z",
"structure_string": "Zr2 Pt1 Au1\n1.0\n-5.209557 6.245909 8.451520\n5.209557 -6.245909 8.451520\n5.209557 6.245909 -8.451520\nZr Pt Au\n2 1 1\ndirect\n0.000000 0.232832 0.232832 Zr\n0.000000 0.767168 0.767168 Zr\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Pt",
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],
"chemical_system": "Au-Pt-Zr",
"density": 0.8672549497268361,
"density_atomic": 0.003636375556484002,
"volume": 1099.9963941754095,
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"formula_full": "Zr2 Pt1 Au1",
"formula_reduced": "Zr2PtAu",
"formula_anonymous": "ABC2",
"energy": -17.16901669,
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"energy_above_hull": null,
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"energy_uncorrected": -17.16901669,
"band_gap": 0.0,
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"total_magnetization": 4.98149,
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"updated_at": "2021-11-28T01:37:17.064000Z",
"spacegroup": 71
}
]
}