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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=157",
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"results": [
{
"id": "mp-1062310",
"created_at": "2022-09-04T14:41:55.462836Z",
"structure_string": "Lu1 Cd2\n1.0\n2.459890 -4.260654 0.000000\n2.459890 4.260654 0.000000\n0.000000 0.000000 3.430681\nLu Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.518246 Cd\n0.333333 0.666667 0.481754 Cd\n",
"nsites": 3,
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"spacegroup": 164
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{
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"created_at": "2022-09-04T14:42:05.624326Z",
"structure_string": "Li3 Hg1\n1.0\n0.000000 3.274919 3.274919\n3.274919 0.000000 3.274919\n3.274919 3.274919 0.000000\nLi Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"formula_full": "Li3 Hg1",
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"updated_at": "2021-11-28T01:35:39.296000Z",
"spacegroup": 225
},
{
"id": "mp-1183464",
"created_at": "2022-09-04T14:48:28.889659Z",
"structure_string": "Ca2 Zn1 Hg1\n1.0\n0.000000 3.746160 3.746160\n3.746160 0.000000 3.746160\n3.746160 3.746160 0.000000\nCa Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Ca-Hg-Zn",
"density": 5.466769263088977,
"density_atomic": 0.03804267338751751,
"volume": 105.14508166275381,
"volume_molar": 15.829962049869959,
"formula_full": "Ca2 Zn1 Hg1",
"formula_reduced": "Ca2ZnHg",
"formula_anonymous": "ABC2",
"energy": -7.1521313,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:29.271000Z",
"spacegroup": 225
},
{
"id": "mp-1978391",
"created_at": "2022-09-04T14:41:26.478787Z",
"structure_string": "Cu1 Te1\n1.0\n-1.948380 -2.641155 -2.014965\n-1.948380 2.641155 2.014965\n1.948380 2.641155 -2.014965\nCu Te\n1 1\ndirect\n0.750000 0.500000 0.250000 Cu\n0.750000 0.000000 0.750000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Te"
],
"chemical_system": "Cu-Te",
"density": 7.65278058016099,
"density_atomic": 0.04822085931701457,
"volume": 41.47582660963295,
"volume_molar": 12.488663299028161,
"formula_full": "Cu1 Te1",
"formula_reduced": "CuTe",
"formula_anonymous": "AB",
"energy": -7.57440436,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.927000Z",
"spacegroup": 139
},
{
"id": "mp-570384",
"created_at": "2022-09-04T14:45:23.535245Z",
"structure_string": "Ba4\n1.0\n-4.172434 4.172434 3.775774\n4.172434 -4.172434 3.775774\n4.172434 4.172434 -3.775774\nBa\n4\ndirect\n0.174989 0.674989 0.849978 Ba\n0.825011 0.325011 0.150022 Ba\n0.674989 0.825011 0.500000 Ba\n0.325011 0.174989 0.500000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.4691261065084897,
"density_atomic": 0.015213006717400479,
"volume": 262.9329017139552,
"volume_molar": 39.58547361391708,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -7.15351697,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:06.455000Z",
"spacegroup": 140
},
{
"id": "mp-865732",
"created_at": "2022-09-04T14:41:29.179819Z",
"structure_string": "Lu1 Cd2\n1.0\n2.472767 -4.282957 0.000000\n2.472767 4.282957 0.000000\n0.000000 0.000000 3.371827\nLu Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"Cd"
],
"chemical_system": "Cd-Lu",
"density": 9.29517879442325,
"density_atomic": 0.04200481387086313,
"volume": 71.42038551159887,
"volume_molar": 14.336787156143766,
"formula_full": "Lu1 Cd2",
"formula_reduced": "LuCd2",
"formula_anonymous": "AB2",
"energy": -7.156444780000001,
"energy_per_atom": -2.3854815933333335,
"energy_above_hull": null,
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"energy_uncorrected": -7.156444780000001,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.844000Z",
"spacegroup": 191
},
{
"id": "mp-972954",
"created_at": "2022-09-04T14:47:29.165126Z",
"structure_string": "Mg2 Cd4\n1.0\n2.720332 -4.711753 0.000000\n2.720332 4.711753 0.000000\n0.000000 0.000000 5.169207\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.665301 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.334699 0.334699 0.000000 Cd\n0.000000 0.665301 0.000000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.243693073531469,
"density_atomic": 0.04527859111702557,
"volume": 132.5129570505539,
"volume_molar": 13.300194664704497,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.16377651,
"energy_per_atom": -1.1939627516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.16377651,
"band_gap": 0.0,
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"total_magnetization": 0.000206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.022000Z",
"spacegroup": 189
},
{
"id": "mp-1095953",
"created_at": "2022-09-04T14:42:58.030804Z",
"structure_string": "Zn2 Pt1 Au1\n1.0\n-4.850810 5.351265 7.576466\n4.850810 -5.351265 7.576466\n4.850810 5.351265 -7.576466\nZn Pt Au\n2 1 1\ndirect\n0.000000 0.245714 0.245714 Zn\n0.000000 0.754286 0.754286 Zn\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Zn",
"density": 1.1036827152408393,
"density_atomic": 0.005084667973496973,
"volume": 786.6787017066536,
"volume_molar": 118.43724686428801,
"formula_full": "Zn2 Pt1 Au1",
"formula_reduced": "Zn2PtAu",
"formula_anonymous": "ABC2",
"energy": -7.16681561,
"energy_per_atom": -1.7917039025,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:08.326000Z",
"spacegroup": 71
},
{
"id": "mp-1094675",
"created_at": "2022-09-04T14:48:17.214613Z",
"structure_string": "Li2 Mg2\n1.0\n3.053635 0.000000 0.000000\n0.000000 5.041333 0.000000\n0.000000 0.000000 5.414428\nLi Mg\n2 2\ndirect\n0.500000 0.750000 0.334255 Li\n0.500000 0.250000 0.665745 Li\n0.000000 0.750000 0.830007 Mg\n0.000000 0.250000 0.169993 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
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"chemical_system": "Li-Mg",
"density": 1.2449686878033086,
"density_atomic": 0.04798935340417943,
"volume": 83.35182110729662,
"volume_molar": 12.548909982761982,
"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -7.16897418,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:37.864000Z",
"spacegroup": 51
},
{
"id": "mp-11311",
"created_at": "2022-09-04T14:46:54.236804Z",
"structure_string": "Tm1 Cd2\n1.0\n2.476876 -4.290075 0.000000\n2.476876 4.290075 0.000000\n0.000000 0.000000 3.405527\nTm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
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"elements": [
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"density": 9.034269471967907,
"density_atomic": 0.04145126430597478,
"volume": 72.3741495037482,
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"formula_full": "Tm1 Cd2",
"formula_reduced": "TmCd2",
"formula_anonymous": "AB2",
"energy": -7.17071266,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:47.686000Z",
"spacegroup": 191
},
{
"id": "mp-1186036",
"created_at": "2022-09-04T14:44:14.075542Z",
"structure_string": "Na3 Cu1\n1.0\n-2.430455 2.430455 4.289179\n2.430455 -2.430455 4.289179\n2.430455 2.430455 -4.289179\nNa Cu\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 2.1712299245322884,
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"volume": 101.3466345063599,
"volume_molar": 15.258092463739313,
"formula_full": "Na3 Cu1",
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"energy": -7.17124117,
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"updated_at": "2021-11-28T01:36:35.253000Z",
"spacegroup": 139
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{
"id": "mp-1094568",
"created_at": "2022-09-04T14:39:39.357148Z",
"structure_string": "Li2 Mg2\n1.0\n1.544090 5.697075 0.000000\n-1.544090 5.697075 0.000000\n0.000000 2.446321 4.763796\nLi Mg\n2 2\ndirect\n0.625181 0.625181 0.708405 Li\n0.374819 0.374819 0.291595 Li\n0.876323 0.876323 0.793483 Mg\n0.123677 0.123677 0.206517 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.2381287928469227,
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"volume": 83.812288309167,
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"formula_full": "Li2 Mg2",
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"energy": -7.17477597,
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"updated_at": "2021-11-28T01:34:27.636000Z",
"spacegroup": 12
}
]
}