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{
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"results": [
{
"id": "mp-1097086",
"created_at": "2022-09-04T14:47:03.120905Z",
"structure_string": "Li2 In1 Sb1\n1.0\n-5.462397 5.676776 8.174073\n5.462397 -5.676776 8.174073\n5.462397 5.676776 -8.174073\nLi In Sb\n2 1 1\ndirect\n0.000000 0.260995 0.260995 Li\n0.000000 0.739005 0.739005 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sb\n",
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"volume": 1013.8729164348102,
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{
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"volume": 1014.308114904796,
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"updated_at": "2021-11-28T01:35:21.638000Z",
"spacegroup": 71
},
{
"id": "mp-1097429",
"created_at": "2022-09-04T14:47:58.075799Z",
"structure_string": "Ca1 Sn1 Pd2\n1.0\n-5.011081 5.981352 8.462310\n5.011081 -5.981352 8.462310\n5.011081 5.981352 -8.462310\nCa Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.247980 0.247980 Pd\n0.000000 0.752020 0.752020 Pd\n",
"nsites": 4,
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"elements": [
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"Sn",
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],
"chemical_system": "Ca-Pd-Sn",
"density": 0.6082439802180609,
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"volume": 1014.5646028772665,
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"formula_full": "Ca1 Sn1 Pd2",
"formula_reduced": "CaSnPd2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.783000Z",
"spacegroup": 71
},
{
"id": "mp-1093843",
"created_at": "2022-09-04T14:41:58.053206Z",
"structure_string": "Li2 Tl1 Zn1\n1.0\n-5.652621 5.728960 7.836651\n5.652621 -5.728960 7.836651\n5.652621 5.728960 -7.836651\nLi Tl Zn\n2 1 1\ndirect\n0.000000 0.247253 0.247253 Li\n0.000000 0.752747 0.752747 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"Tl",
"Zn"
],
"chemical_system": "Li-Tl-Zn",
"density": 0.4640373459645797,
"density_atomic": 0.003940431990153828,
"volume": 1015.1171267503202,
"volume_molar": 152.82945562942973,
"formula_full": "Li2 Tl1 Zn1",
"formula_reduced": "Li2TlZn",
"formula_anonymous": "ABC2",
"energy": -3.68240132,
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"energy_uncorrected": -3.68240132,
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"updated_at": "2021-11-28T01:35:35.185000Z",
"spacegroup": 71
},
{
"id": "mp-1093637",
"created_at": "2022-09-04T14:42:03.092318Z",
"structure_string": "Y1 Tl1 Pd2\n1.0\n-5.077516 5.945805 8.406695\n5.077516 -5.945805 8.406695\n5.077516 5.945805 -8.406695\nY Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.236352 0.236352 Pd\n0.000000 0.763648 0.763648 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.8278720169969771,
"density_atomic": 0.003940149915762656,
"volume": 1015.1897987429138,
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"formula_full": "Y1 Tl1 Pd2",
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"energy_uncorrected": -14.21319294,
"band_gap": 0.1438000000000001,
"is_gap_direct": true,
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"total_magnetization": 8.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.016000Z",
"spacegroup": 71
},
{
"id": "mp-1093598",
"created_at": "2022-09-04T14:48:14.182334Z",
"structure_string": "Y2 Ir1 Pt1\n1.0\n-5.099371 5.934364 8.387435\n5.099371 -5.934364 8.387435\n5.099371 5.934364 -8.387435\nY Ir Pt\n2 1 1\ndirect\n0.000000 0.243244 0.243244 Y\n0.000000 0.756756 0.756756 Y\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-Y",
"density": 0.9242814029016468,
"density_atomic": 0.003939853209490803,
"volume": 1015.2662516370681,
"volume_molar": 152.8519069059001,
"formula_full": "Y2 Ir1 Pt1",
"formula_reduced": "Y2IrPt",
"formula_anonymous": "ABC2",
"energy": -21.27068976,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -21.27068976,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.1343797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.237000Z",
"spacegroup": 71
},
{
"id": "mp-1097575",
"created_at": "2022-09-04T14:41:00.353329Z",
"structure_string": "Sc2 Al1 Au1\n1.0\n-5.423112 5.757413 8.132102\n5.423112 -5.757413 8.132102\n5.423112 5.757413 -8.132102\nSc Al Au\n2 1 1\ndirect\n0.000000 0.257289 0.257289 Sc\n0.000000 0.742711 0.742711 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Al",
"Au"
],
"chemical_system": "Al-Au-Sc",
"density": 0.5131522137317245,
"density_atomic": 0.003938412715139944,
"volume": 1015.637590398615,
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"formula_full": "Sc2 Al1 Au1",
"formula_reduced": "Sc2AlAu",
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"energy": -11.90372444,
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"energy_above_hull": null,
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"energy_uncorrected": -11.90372444,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.769000Z",
"spacegroup": 71
},
{
"id": "mp-1096390",
"created_at": "2022-09-04T14:44:10.484541Z",
"structure_string": "Mg1 Ti1 Pd2\n1.0\n-4.634102 4.893618 11.200541\n4.634102 -4.893618 11.200541\n4.634102 4.893618 -11.200541\nMg Ti Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ti\n0.724955 0.000000 0.724955 Pd\n0.275045 0.000000 0.275045 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.46581942832549234,
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"volume": 1016.0021924184285,
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"formula_full": "Mg1 Ti1 Pd2",
"formula_reduced": "MgTiPd2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.199000Z",
"spacegroup": 71
},
{
"id": "mp-1093822",
"created_at": "2022-09-04T14:47:27.372570Z",
"structure_string": "Sc1 Pd2 Pb1\n1.0\n-4.991846 5.986428 8.501576\n4.991846 -5.986428 8.501576\n4.991846 5.986428 -8.501576\nSc Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.227953 0.227953 Pd\n0.000000 0.772047 0.772047 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pd",
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"chemical_system": "Pb-Pd-Sc",
"density": 0.7598184888024736,
"density_atomic": 0.003936149781205179,
"volume": 1016.221491138295,
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"formula_full": "Sc1 Pd2 Pb1",
"formula_reduced": "ScPd2Pb",
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"updated_at": "2021-11-28T01:38:12.708000Z",
"spacegroup": 71
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{
"id": "mp-1096238",
"created_at": "2022-09-04T14:43:02.862607Z",
"structure_string": "Y2 Os1 Pd1\n1.0\n-5.045688 5.967968 8.438378\n5.045688 -5.967968 8.438378\n5.045688 5.967968 -8.438378\nY Os Pd\n2 1 1\ndirect\n0.000000 0.262589 0.262589 Y\n0.000000 0.737411 0.737411 Y\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 0.7751476106126882,
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"volume": 1016.4027827328413,
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"formula_full": "Y2 Os1 Pd1",
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"updated_at": "2021-11-28T01:35:55.372000Z",
"spacegroup": 71
},
{
"id": "mp-1093981",
"created_at": "2022-09-04T14:45:25.636473Z",
"structure_string": "Zr2 Co1 Cu1\n1.0\n-4.876630 6.160056 8.458858\n4.876630 -6.160056 8.458858\n4.876630 6.160056 -8.458858\nZr Co Cu\n2 1 1\ndirect\n0.000000 0.225877 0.225877 Zr\n0.000000 0.774123 0.774123 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"volume": 1016.4269979270597,
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"formula_full": "Zr2 Co1 Cu1",
"formula_reduced": "Zr2CoCu",
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"updated_at": "2021-11-28T01:37:00.942000Z",
"spacegroup": 71
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{
"id": "mp-1095952",
"created_at": "2022-09-04T14:43:36.685134Z",
"structure_string": "Sc1 Ti1 Zn2\n1.0\n-5.556880 5.682673 8.053050\n5.556880 -5.682673 8.053050\n5.556880 5.682673 -8.053050\nSc Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254760 0.254760 Zn\n0.000000 0.745240 0.745240 Zn\n",
"nsites": 4,
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"density": 0.36508692597889536,
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"volume": 1017.1946592453991,
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"formula_full": "Sc1 Ti1 Zn2",
"formula_reduced": "ScTiZn2",
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"updated_at": "2021-11-28T01:36:24.392000Z",
"spacegroup": 71
}
]
}