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{
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"results": [
{
"id": "mp-1093704",
"created_at": "2022-09-04T14:48:10.558433Z",
"structure_string": "Na1 Tl2 Sn1\n1.0\n-5.890661 6.573377 9.233747\n5.890661 -6.573377 9.233747\n5.890661 6.573377 -9.233747\nNa Tl Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.263610 0.263610 Tl\n0.000000 0.736390 0.736390 Tl\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"volume": 1430.1794502232697,
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"formula_full": "Na1 Tl2 Sn1",
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{
"id": "mp-1093782",
"created_at": "2022-09-04T14:43:17.598886Z",
"structure_string": "Y2 Cd1 Hg1\n1.0\n-6.269136 6.352019 8.973079\n6.269136 -6.352019 8.973079\n6.269136 6.352019 -8.973079\nY Cd Hg\n2 1 1\ndirect\n0.000000 0.253184 0.253184 Y\n0.000000 0.746816 0.746816 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Hg-Y",
"density": 0.5702219444984185,
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"volume": 1429.2919986626125,
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"formula_full": "Y2 Cd1 Hg1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.044000Z",
"spacegroup": 71
},
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ca-Cd",
"density": 0.43388110010760905,
"density_atomic": 0.002803772487947881,
"volume": 1426.6492795667791,
"volume_molar": 214.78706941759341,
"formula_full": "Ca1 Cd2 Ag1",
"formula_reduced": "CaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -3.10897079,
"energy_per_atom": -0.7772426975,
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"is_stable": null,
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"energy_uncorrected": -3.10897079,
"band_gap": 0.0,
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"total_magnetization": 0.0004201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.710000Z",
"spacegroup": 71
},
{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Na",
"density": 0.5307280583351984,
"density_atomic": 0.0028063830576147554,
"volume": 1425.322173730532,
"volume_molar": 214.587268963861,
"formula_full": "Na2 Hg1 Bi1",
"formula_reduced": "Na2HgBi",
"formula_anonymous": "ABC2",
"energy": -4.45521744,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.45521744,
"band_gap": 0.0071000000000003,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.495000Z",
"spacegroup": 71
},
{
"id": "mp-1096270",
"created_at": "2022-09-04T14:44:02.026539Z",
"structure_string": "Y2 Al1 Pb1\n1.0\n-5.768082 6.523552 9.462443\n5.768082 -6.523552 9.462443\n5.768082 6.523552 -9.462443\nY Al Pb\n2 1 1\ndirect\n0.000000 0.252296 0.252296 Y\n0.000000 0.747704 0.747704 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
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"chemical_system": "Al-Pb-Y",
"density": 0.4803528415361412,
"density_atomic": 0.002808543593604782,
"volume": 1424.2257122546484,
"volume_molar": 214.42219283021873,
"formula_full": "Y2 Al1 Pb1",
"formula_reduced": "Y2AlPb",
"formula_anonymous": "ABC2",
"energy": -12.21022062,
"energy_per_atom": -3.052555155,
"energy_above_hull": null,
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"energy_uncorrected": -12.21022062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0650508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096504",
"created_at": "2022-09-04T14:44:14.713310Z",
"structure_string": "Sr2 Li1 Pd1\n1.0\n-6.280269 6.332299 8.948781\n6.280269 -6.332299 8.948781\n6.280269 6.332299 -8.948781\nSr Li Pd\n2 1 1\ndirect\n0.000000 0.283215 0.283215 Sr\n0.000000 0.716785 0.716785 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Li",
"Pd"
],
"chemical_system": "Li-Pd-Sr",
"density": 0.33665370504006686,
"density_atomic": 0.0028099362092680507,
"volume": 1423.5198602753849,
"volume_molar": 214.3159243308475,
"formula_full": "Sr2 Li1 Pd1",
"formula_reduced": "Sr2LiPd",
"formula_anonymous": "ABC2",
"energy": -6.67372457,
"energy_per_atom": -1.6684311425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.67372457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.05e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.799000Z",
"spacegroup": 71
},
{
"id": "mp-1095888",
"created_at": "2022-09-04T14:39:34.442668Z",
"structure_string": "Tl1 Hg1 Pb2\n1.0\n-5.742107 6.598183 9.379984\n5.742107 -6.598183 9.379984\n5.742107 6.598183 -9.379984\nTl Hg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.253090 0.253090 Pb\n0.000000 0.746910 0.746910 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 0.957134959180736,
"density_atomic": 0.0028138585684913888,
"volume": 1421.5355543418605,
"volume_molar": 214.0171800897828,
"formula_full": "Tl1 Hg1 Pb2",
"formula_reduced": "TlHgPb2",
"formula_anonymous": "ABC2",
"energy": -5.7666566,
"energy_per_atom": -1.44166415,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.7666566,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9993335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.312000Z",
"spacegroup": 71
},
{
"id": "mp-1097238",
"created_at": "2022-09-04T14:39:37.242355Z",
"structure_string": "Li1 Y1 Pb2\n1.0\n-5.820774 6.567442 9.288775\n5.820774 -6.567442 9.288775\n5.820774 6.567442 -9.288775\nLi Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.242425 0.242425 Pb\n0.000000 0.757575 0.757575 Pb\n",
"nsites": 4,
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"elements": [
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"Y",
"Pb"
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"chemical_system": "Li-Pb-Y",
"density": 0.5965323654417011,
"density_atomic": 0.002816206997712688,
"volume": 1420.3501387677766,
"volume_molar": 213.8387116036271,
"formula_full": "Li1 Y1 Pb2",
"formula_reduced": "LiYPb2",
"formula_anonymous": "ABC2",
"energy": -9.72195725,
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"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -9.72195725,
"band_gap": 0.0201000000000002,
"is_gap_direct": false,
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"total_magnetization": 9.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.469000Z",
"spacegroup": 71
},
{
"id": "mp-1096202",
"created_at": "2022-09-04T14:44:11.016074Z",
"structure_string": "Y2 Pd1 Pb1\n1.0\n-5.475049 6.772501 9.575564\n5.475049 -6.772501 9.575564\n5.475049 6.772501 -9.575564\nY Pd Pb\n2 1 1\ndirect\n0.000000 0.237910 0.237910 Y\n0.000000 0.762090 0.762090 Y\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Y",
"density": 0.5745804194954085,
"density_atomic": 0.0028164273206933705,
"volume": 1420.2390278671378,
"volume_molar": 213.82198346653666,
"formula_full": "Y2 Pd1 Pb1",
"formula_reduced": "Y2PdPb",
"formula_anonymous": "ABC2",
"energy": -14.99366193,
"energy_per_atom": -3.7484154825,
"energy_above_hull": null,
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"energy_uncorrected": -14.99366193,
"band_gap": 0.016,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.341000Z",
"spacegroup": 71
},
{
"id": "mp-1095876",
"created_at": "2022-09-04T14:39:58.024201Z",
"structure_string": "Ca1 Mg1 Zn2\n1.0\n-6.274859 6.395490 8.846320\n6.274859 -6.395490 8.846320\n6.274859 6.395490 -8.846320\nCa Mg Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.237021 0.000000 0.237021 Zn\n0.762979 0.000000 0.762979 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
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"density": 0.22826046811260883,
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"volume": 1420.0395233548616,
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"formula_full": "Ca1 Mg1 Zn2",
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"energy_above_hull": null,
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"band_gap": 0.0776000000000001,
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"updated_at": "2021-11-28T01:34:41.232000Z",
"spacegroup": 71
},
{
"id": "mp-1097108",
"created_at": "2022-09-04T14:39:26.714260Z",
"structure_string": "K2 Hg1 Te1\n1.0\n-6.225600 6.950955 8.197967\n6.225600 -6.950955 8.197967\n6.225600 6.950955 -8.197967\nK Hg Te\n2 1 1\ndirect\n0.220283 0.000000 0.220283 K\n0.779717 0.000000 0.779717 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"density": 0.4755504853572886,
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"volume": 1419.030883620577,
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"formula_full": "K2 Hg1 Te1",
"formula_reduced": "K2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.14105749,
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"energy_above_hull": null,
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"energy_uncorrected": -5.71905749,
"band_gap": 0.1296999999999997,
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"total_magnetization": 7.69e-05,
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"updated_at": "2021-11-28T01:34:25.573000Z",
"spacegroup": 71
},
{
"id": "mp-1097380",
"created_at": "2022-09-04T14:47:05.734485Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-6.266142 6.387362 8.858483\n6.266142 -6.387362 8.858483\n6.266142 6.387362 -8.858483\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265457 0.000000 0.265457 Ca\n0.734543 0.000000 0.734543 Ca\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Ca-Li",
"density": 0.22827854038387277,
"density_atomic": 0.0028204530924577347,
"volume": 1418.2118506762372,
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"formula_full": "Li1 Ca2 Ag1",
"formula_reduced": "LiCa2Ag",
"formula_anonymous": "ABC2",
"energy": -4.27229858,
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"energy_above_hull": null,
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"energy_uncorrected": -4.27229858,
"band_gap": 0.6486000000000003,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.415000Z",
"spacegroup": 71
}
]
}