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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=85",
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"results": [
{
"id": "mp-973940",
"created_at": "2022-09-04T14:39:16.385249Z",
"structure_string": "Li1 Cd3\n1.0\n0.000000 3.449262 3.449262\n3.449262 0.000000 3.449262\n3.449262 3.449262 0.000000\nLi Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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"formula_full": "Li1 Cd3",
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{
"id": "mp-1039141",
"created_at": "2022-09-04T14:45:40.129974Z",
"structure_string": "Mg1 Al1\n1.0\n3.014748 0.000000 0.000000\n0.000000 3.014748 0.000000\n0.000000 0.000000 4.232420\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
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"elements": [
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"chemical_system": "Al-Mg",
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"volume": 38.4672189471404,
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"formula_full": "Mg1 Al1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.493000Z",
"spacegroup": 123
},
{
"id": "mp-1097250",
"created_at": "2022-09-04T14:48:18.090521Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-5.791838 5.956809 8.422881\n5.791838 -5.956809 8.422881\n5.791838 5.956809 -8.422881\nHf Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250392 0.250392 Hg\n0.000000 0.749608 0.749608 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Hg"
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"chemical_system": "Hf-Hg-Mg",
"density": 0.8628142768022389,
"density_atomic": 0.0034411947689466003,
"volume": 1162.3869814333289,
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"formula_full": "Hf1 Mg1 Hg2",
"formula_reduced": "HfMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35087006,
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"energy_uncorrected": -5.35087006,
"band_gap": 0.4041999999999999,
"is_gap_direct": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
},
{
"id": "mp-1093878",
"created_at": "2022-09-04T14:45:39.068090Z",
"structure_string": "Mg1 Zn2 Rh1\n1.0\n-5.270626 5.558282 7.693747\n5.270626 -5.558282 7.693747\n5.270626 5.558282 -7.693747\nMg Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.269709 0.269709 Zn\n0.000000 0.730291 0.730291 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Mg-Rh-Zn",
"density": 0.47524341269511716,
"density_atomic": 0.004436692423514158,
"volume": 901.5725270474649,
"volume_molar": 135.7349165807185,
"formula_full": "Mg1 Zn2 Rh1",
"formula_reduced": "MgZn2Rh",
"formula_anonymous": "ABC2",
"energy": -5.35852613,
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"energy_above_hull": null,
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"energy_uncorrected": -5.35852613,
"band_gap": 0.0945,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.609000Z",
"spacegroup": 71
},
{
"id": "mp-1185363",
"created_at": "2022-09-04T14:43:11.844503Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n0.000000 3.426346 3.426346\n3.426346 0.000000 3.426346\n3.426346 3.426346 0.000000\nLi Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 8.925596497038184,
"density_atomic": 0.049720598197797665,
"volume": 80.44955501314095,
"volume_molar": 12.11196360921246,
"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35991536,
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"energy_uncorrected": -5.35991536,
"band_gap": 0.0,
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"total_magnetization": 0.0009931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.324000Z",
"spacegroup": 225
},
{
"id": "mp-1009113",
"created_at": "2022-09-04T14:40:14.063839Z",
"structure_string": "Ho1 Hg2\n1.0\n2.665864 -4.617412 0.000000\n2.665864 4.617412 0.000000\n0.000000 0.000000 3.384258\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.917383 Hg\n0.333333 0.666667 0.082617 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Hg"
],
"chemical_system": "Hg-Ho",
"density": 11.282883199780782,
"density_atomic": 0.03600735144584547,
"volume": 83.31631957190619,
"volume_molar": 16.7247534689054,
"formula_full": "Ho1 Hg2",
"formula_reduced": "HoHg2",
"formula_anonymous": "AB2",
"energy": -5.36596057,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.36596057,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.732000Z",
"spacegroup": 164
},
{
"id": "mp-1095741",
"created_at": "2022-09-04T14:47:57.046630Z",
"structure_string": "Mg1 Zn2 Pt1\n1.0\n-5.106305 5.276678 7.205836\n5.106305 -5.276678 7.205836\n5.106305 5.276678 -7.205836\nMg Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.263447 0.263447 Zn\n0.000000 0.736553 0.736553 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Mg-Pt-Zn",
"density": 0.7487937494306194,
"density_atomic": 0.005150486838741307,
"volume": 776.6256133133879,
"volume_molar": 116.9237190298638,
"formula_full": "Mg1 Zn2 Pt1",
"formula_reduced": "MgZn2Pt",
"formula_anonymous": "ABC2",
"energy": -5.36654704,
"energy_per_atom": -1.34163676,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -5.36654704,
"band_gap": 0.2315999999999998,
"is_gap_direct": false,
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"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.115000Z",
"spacegroup": 71
},
{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ag"
],
"chemical_system": "Ag-Li-Mg",
"density": 0.41343614919256366,
"density_atomic": 0.004032304628298033,
"volume": 991.9885446969149,
"volume_molar": 149.34736621180932,
"formula_full": "Li1 Mg1 Ag2",
"formula_reduced": "LiMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.36997387,
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"energy_above_hull": null,
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"energy_uncorrected": -5.36997387,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
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{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
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"formula_anonymous": "A",
"energy": -5.37022588,
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"energy_above_hull": null,
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"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-1095016",
"created_at": "2022-09-04T14:47:14.132986Z",
"structure_string": "Ca1 Mg2\n1.0\n-1.945551 1.945551 5.627645\n1.945551 -1.945551 5.627645\n1.945551 1.945551 -5.627645\nCa Mg\n1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.816972 0.816972 0.000000 Mg\n0.183028 0.183028 0.000000 Mg\n",
"nsites": 3,
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"elements": [
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"density": 1.7283911512672003,
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"volume": 85.2063426908008,
"volume_molar": 17.10415297762665,
"formula_full": "Ca1 Mg2",
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"energy": -5.37266544,
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"spacegroup": 139
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{
"id": "mp-1187152",
"created_at": "2022-09-04T14:40:20.332686Z",
"structure_string": "Sr1 Cd3\n1.0\n0.000000 3.762230 3.762230\n3.762230 0.000000 3.762230\n3.762230 3.762230 0.000000\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 6.624021975535018,
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"volume": 106.50402529880316,
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"formula_full": "Sr1 Cd3",
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"energy": -5.37606295,
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"updated_at": "2021-11-28T01:35:03.235000Z",
"spacegroup": 225
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{
"id": "mp-1211065",
"created_at": "2022-09-04T14:42:47.191795Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n",
"nsites": 5,
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"elements": [
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"density": 0.14024148737149794,
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"volume": 3102.2197152364647,
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"formula_full": "Mg2 Cu1 As2",
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"formula_anonymous": "AB2C2",
"energy": -5.3804974,
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"updated_at": "2021-11-28T01:35:51.165000Z",
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]
}