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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=159",
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"results": [
{
"id": "mp-1094901",
"created_at": "2022-09-04T14:48:26.000908Z",
"structure_string": "Mg2 Cd4\n1.0\n1.595293 5.831798 0.000000\n-1.595293 5.831798 0.000000\n0.000000 2.028446 7.101148\nMg Cd\n2 4\ndirect\n0.526938 0.526938 0.196431 Mg\n0.473062 0.473062 0.803569 Mg\n0.808782 0.808782 0.137167 Cd\n0.136946 0.136946 0.471645 Cd\n0.863054 0.863054 0.528355 Cd\n0.191218 0.191218 0.862833 Cd\n",
"nsites": 6,
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{
"id": "mp-1227339",
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"structure_string": "Bi1 Te1\n1.0\n3.600129 -2.422708 0.000000\n3.600129 2.422708 0.000000\n1.969768 0.000000 3.866582\nBi Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Te\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:57.671000Z",
"spacegroup": 166
},
{
"id": "mp-1096092",
"created_at": "2022-09-04T14:40:06.148279Z",
"structure_string": "Li1 Y2 Hg1\n1.0\n-6.140635 6.307838 8.926279\n6.140635 -6.307838 8.926279\n6.140635 6.307838 -8.926279\nLi Y Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257492 0.257492 Y\n0.000000 0.742508 0.742508 Y\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Y",
"Hg"
],
"chemical_system": "Hg-Li-Y",
"density": 0.4626706712648712,
"density_atomic": 0.002892249323880915,
"volume": 1383.006633270699,
"volume_molar": 208.21651543924622,
"formula_full": "Li1 Y2 Hg1",
"formula_reduced": "LiY2Hg",
"formula_anonymous": "ABC2",
"energy": -7.20160102,
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"energy_uncorrected": -7.20160102,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.983000Z",
"spacegroup": 71
},
{
"id": "mp-1222610",
"created_at": "2022-09-04T14:48:07.439800Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n0.000000 3.277003 3.277003\n3.277003 0.000000 3.277003\n3.277003 3.277003 0.000000\nLi Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 2.4441709153279954,
"density_atomic": 0.05683285570365594,
"volume": 70.38182316329898,
"volume_molar": 10.596231150870373,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy": -7.20313255,
"energy_per_atom": -1.8007831375,
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"energy_uncorrected": -7.20313255,
"band_gap": 0.0,
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"total_magnetization": 0.0001784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.798000Z",
"spacegroup": 216
},
{
"id": "mp-973535",
"created_at": "2022-09-04T14:39:18.161129Z",
"structure_string": "K3 Sc1\n1.0\n0.000000 4.767129 4.767129\n4.767129 0.000000 4.767129\n4.767129 4.767129 0.000000\nK Sc\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sc"
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"chemical_system": "K-Sc",
"density": 1.2434698743852188,
"density_atomic": 0.018461172612079427,
"volume": 216.67096040165612,
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"formula_full": "K3 Sc1",
"formula_reduced": "K3Sc",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.331000Z",
"spacegroup": 225
},
{
"id": "mp-1219463",
"created_at": "2022-09-04T14:45:17.355606Z",
"structure_string": "Sb1 Te1\n1.0\n4.379812 -2.059525 0.000000\n4.379812 2.059525 0.000000\n3.411358 0.000000 3.433225\nSb Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Te"
],
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"density": 6.685302873859346,
"density_atomic": 0.03229053171601415,
"volume": 61.93766078519299,
"volume_molar": 18.649865579678213,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy": -7.62728452,
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"energy_above_hull": null,
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"energy_uncorrected": -7.20528452,
"band_gap": 0.0,
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"total_magnetization": 0.0036305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.303000Z",
"spacegroup": 166
},
{
"id": "mp-1096620",
"created_at": "2022-09-04T14:47:24.926145Z",
"structure_string": "Cd2 Pd1 Pt1\n1.0\n-5.207619 5.601993 7.920782\n5.207619 -5.601993 7.920782\n5.207619 5.601993 -7.920782\nCd Pd Pt\n2 1 1\ndirect\n0.000000 0.251196 0.251196 Cd\n0.000000 0.748804 0.748804 Cd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Pt"
],
"chemical_system": "Cd-Pd-Pt",
"density": 0.9455709149661246,
"density_atomic": 0.004327630518314385,
"volume": 924.2933247355883,
"volume_molar": 139.15561262715255,
"formula_full": "Cd2 Pd1 Pt1",
"formula_reduced": "Cd2PdPt",
"formula_anonymous": "ABC2",
"energy": -7.21042654,
"energy_per_atom": -1.802606635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -7.21042654,
"band_gap": 0.2706999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.114000Z",
"spacegroup": 71
},
{
"id": "mp-20943",
"created_at": "2022-09-04T14:43:40.809604Z",
"structure_string": "Te1 Pb1\n1.0\n4.002287 0.000000 0.000000\n0.000000 4.002287 0.000000\n0.000000 0.000000 4.002287\nTe Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Te",
"Pb"
],
"chemical_system": "Pb-Te",
"density": 8.671812160326672,
"density_atomic": 0.03119645967252928,
"volume": 64.10983877638985,
"volume_molar": 19.30392366061629,
"formula_full": "Te1 Pb1",
"formula_reduced": "TePb",
"formula_anonymous": "AB",
"energy": -7.633631419999999,
"energy_per_atom": -3.8168157099999993,
"energy_above_hull": null,
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"energy_uncorrected": -7.21163142,
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"updated_at": "2021-11-28T01:36:12.221000Z",
"spacegroup": 221
},
{
"id": "mp-1057273",
"created_at": "2022-09-04T14:46:41.970948Z",
"structure_string": "Pb2\n1.0\n-1.821154 -3.154331 0.000000\n1.821154 -3.154331 0.000000\n0.000000 -2.102887 6.062357\nPb\n2\ndirect\n0.098344 0.098344 0.704969 Pb\n0.901656 0.901656 0.295031 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
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"chemical_system": "Pb",
"density": 9.87969198211149,
"density_atomic": 0.028714718051293272,
"volume": 69.65069259699462,
"volume_molar": 20.97231374252958,
"formula_full": "Pb2",
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"formula_anonymous": "A",
"energy": -7.21175823,
"energy_per_atom": -3.605879115,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -7.21175823,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.441000Z",
"spacegroup": 166
},
{
"id": "mp-1934",
"created_at": "2022-09-04T14:47:56.302435Z",
"structure_string": "Li2 Zn2\n1.0\n0.000000 3.087289 3.087289\n3.087289 0.000000 3.087289\n3.087289 3.087289 0.000000\nLi Zn\n2 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Li-Zn",
"density": 4.082778097815391,
"density_atomic": 0.06796700595822003,
"volume": 58.85208482567025,
"volume_molar": 8.860388470991156,
"formula_full": "Li2 Zn2",
"formula_reduced": "LiZn",
"formula_anonymous": "AB",
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:21.433000Z",
"spacegroup": 227
},
{
"id": "mp-1183341",
"created_at": "2022-09-04T14:42:06.201698Z",
"structure_string": "Ba3 Li1\n1.0\n-2.907131 2.907131 6.495933\n2.907131 -2.907131 6.495933\n2.907131 2.907131 -6.495933\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Li",
"density": 3.16775462066498,
"density_atomic": 0.018215003485496012,
"volume": 219.59918938171293,
"volume_molar": 33.06143073096432,
"formula_full": "Ba3 Li1",
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"formula_anonymous": "AB3",
"energy": -7.21526572,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:35.376000Z",
"spacegroup": 139
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{
"id": "mp-1095833",
"created_at": "2022-09-04T14:39:15.586492Z",
"structure_string": "Tl2 Hg1 Te1\n1.0\n-6.231816 6.714612 8.778527\n6.231816 -6.714612 8.778527\n6.231816 6.714612 -8.778527\nTl Hg Te\n2 1 1\ndirect\n0.785815 0.000000 0.785815 Tl\n0.214185 0.000000 0.214185 Tl\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": 0.8328634917322896,
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"volume": 1469.3226883356563,
"volume_molar": 221.21170127547333,
"formula_full": "Tl2 Hg1 Te1",
"formula_reduced": "Tl2HgTe",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:31.576000Z",
"spacegroup": 71
}
]
}