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{
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"results": [
{
"id": "mp-1228438",
"created_at": "2022-09-04T14:43:12.702607Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.681018 0.000000 0.000000\n0.000000 6.164727 0.000000\n0.000000 0.038190 6.636340\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519511 0.169995 Al\n0.500000 0.974652 0.848631 Al\n0.000000 0.509727 0.655261 Zn\n0.000000 0.889532 0.657146 S\n0.500000 0.874704 0.163634 S\n0.500000 0.362327 0.844788 S\n0.000000 0.369547 0.327195 S\n",
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"volume": 150.5949533418004,
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"formula_full": "Al2 Zn1 S4",
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"spacegroup": 6
},
{
"id": "mp-1210471",
"created_at": "2022-09-04T14:41:58.039539Z",
"structure_string": "Pb8 Au2\n1.0\n-5.556991 -5.556991 0.000000\n-5.556991 0.000000 -5.556991\n0.000000 -5.556991 -5.556991\nPb Au\n8 2\ndirect\n0.603370 0.603370 0.603370 Pb\n0.189891 0.603370 0.603370 Pb\n0.603370 0.189891 0.603370 Pb\n0.560109 0.146630 0.146630 Pb\n0.146630 0.146630 0.146630 Pb\n0.603370 0.603370 0.189891 Pb\n0.146630 0.560109 0.146630 Pb\n0.146630 0.146630 0.560109 Pb\n0.000000 0.000000 0.000000 Au\n0.750000 0.750000 0.750000 Au\n",
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"elements": [
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"volume": 343.2014198552547,
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"formula_full": "Pb8 Au2",
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"updated_at": "2021-11-28T01:35:33.866000Z",
"spacegroup": 227
},
{
"id": "mp-1023382",
"created_at": "2022-09-04T14:43:11.291985Z",
"structure_string": "Ca2 Mg12 Ni2\n1.0\n4.891852 0.000000 0.000000\n0.000000 6.252376 0.000000\n0.000000 0.000000 11.781443\nCa Mg Ni\n2 12 2\ndirect\n0.000000 0.500000 0.306656 Ca\n0.000000 0.000000 0.806656 Ca\n0.000000 0.257448 0.078297 Mg\n0.000000 0.742552 0.078297 Mg\n0.000000 0.000000 0.341145 Mg\n0.500000 0.759502 0.440381 Mg\n0.500000 0.240498 0.440381 Mg\n0.500000 0.000000 0.181364 Mg\n0.000000 0.757448 0.578297 Mg\n0.000000 0.242552 0.578297 Mg\n0.000000 0.500000 0.841145 Mg\n0.500000 0.259502 0.940381 Mg\n0.500000 0.740498 0.940381 Mg\n0.500000 0.500000 0.681364 Mg\n0.500000 0.500000 0.133478 Ni\n0.500000 0.000000 0.633478 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 2.2543489879184344,
"density_atomic": 0.04440205798364173,
"volume": 360.3436580776188,
"volume_molar": 13.56275144322957,
"formula_full": "Ca2 Mg12 Ni2",
"formula_reduced": "CaMg6Ni",
"formula_anonymous": "ABC6",
"energy": -33.98269735,
"energy_per_atom": -2.123918584375,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.339000Z",
"spacegroup": 38
},
{
"id": "mp-8298",
"created_at": "2022-09-04T14:47:02.566469Z",
"structure_string": "Sr4 P2 O1\n1.0\n-2.417519 2.417519 8.023919\n2.417519 -2.417519 8.023919\n2.417519 2.417519 -8.023919\nSr P O\n4 2 1\ndirect\n0.675929 0.675929 0.000000 Sr\n0.324071 0.324071 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.864843 0.864843 0.000000 P\n0.135157 0.135157 0.000000 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-P-Sr",
"density": 3.792621772957955,
"density_atomic": 0.03731742947569872,
"volume": 187.57990832563726,
"volume_molar": 16.13760873835548,
"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy": -33.98256387,
"energy_per_atom": -4.854651981428572,
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"updated_at": "2021-11-28T01:37:52.563000Z",
"spacegroup": 139
},
{
"id": "mp-1226638",
"created_at": "2022-09-04T14:45:13.099768Z",
"structure_string": "Ce2 Sb2 Pd2\n1.0\n-2.592318 -4.492895 0.000131\n-5.184635 0.000000 0.000000\n0.000000 0.000937 -5.743347\nCe Sb Pd\n2 2 2\ndirect\n0.999810 0.000095 0.741021 Ce\n0.000190 0.999905 0.258979 Ce\n0.666804 0.666598 0.004138 Sb\n0.333196 0.333402 0.995862 Sb\n0.332737 0.333632 0.498711 Pd\n0.667263 0.666368 0.501289 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Pd"
],
"chemical_system": "Ce-Pd-Sb",
"density": 9.14253401129115,
"density_atomic": 0.044847861560898955,
"volume": 133.785643086964,
"volume_molar": 13.427932905613636,
"formula_full": "Ce2 Sb2 Pd2",
"formula_reduced": "CeSbPd",
"formula_anonymous": "ABC",
"energy": -33.98255956,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -33.98255956,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.498000Z",
"spacegroup": 191
},
{
"id": "mp-5589",
"created_at": "2022-09-04T14:48:22.745798Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.925863 -3.335693 0.000000\n1.925863 3.335693 0.000000\n0.000000 0.000000 7.125747\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.387774 Mn\n0.333333 0.666667 0.612226 Mn\n0.666667 0.333333 0.705941 P\n0.333333 0.666667 0.294059 P\n",
"nsites": 5,
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"elements": [
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"Mn",
"P"
],
"chemical_system": "Mn-P-Sr",
"density": 4.70565654039031,
"density_atomic": 0.05461326572531887,
"volume": 91.55284771190648,
"volume_molar": 11.026882717998895,
"formula_full": "Sr1 Mn2 P2",
"formula_reduced": "Sr(MnP)2",
"formula_anonymous": "AB2C2",
"energy": -33.98223887,
"energy_per_atom": -6.796447774000001,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:39:40.287000Z",
"spacegroup": 164
},
{
"id": "mp-14091",
"created_at": "2022-09-04T14:39:15.918224Z",
"structure_string": "Al2 Ag2 Se4\n1.0\n-3.021358 3.021358 5.557863\n3.021358 -3.021358 5.557863\n3.021358 3.021358 -5.557863\nAl Ag Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.588875 0.625000 0.463875 Se\n0.375000 0.838875 0.963875 Se\n0.161125 0.125000 0.536125 Se\n0.875000 0.411125 0.036125 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ag",
"Se"
],
"chemical_system": "Ag-Al-Se",
"density": 4.791076152756863,
"density_atomic": 0.03942010555014637,
"volume": 202.9421253026121,
"volume_molar": 15.276825558823598,
"formula_full": "Al2 Ag2 Se4",
"formula_reduced": "AlAgSe2",
"formula_anonymous": "ABC2",
"energy": -33.98209028,
"energy_per_atom": -4.247761285,
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"updated_at": "2021-11-28T01:34:35.501000Z",
"spacegroup": 122
},
{
"id": "mp-3333",
"created_at": "2022-09-04T14:47:30.324777Z",
"structure_string": "Eu1 Ni2 Ge2\n1.0\n-2.068860 2.068860 5.036082\n2.068860 -2.068860 5.036082\n2.068860 2.068860 -5.036082\nEu Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.633855 0.633855 0.000000 Ge\n0.366145 0.366145 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"Ni",
"Ge"
],
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"density": 7.9853814590324355,
"density_atomic": 0.05799025444468436,
"volume": 86.22138405633987,
"volume_molar": 10.384746226185968,
"formula_full": "Eu1 Ni2 Ge2",
"formula_reduced": "Eu(NiGe)2",
"formula_anonymous": "AB2C2",
"energy": -33.98096698,
"energy_per_atom": -6.796193396,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:14.205000Z",
"spacegroup": 139
},
{
"id": "mp-1077351",
"created_at": "2022-09-04T14:45:09.736256Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n2.122882 -3.676940 0.000000\n2.122882 3.676940 0.000000\n0.000000 0.000000 6.436656\nZr Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.419577985382778,
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"volume": 100.48533687836208,
"volume_molar": 10.085614049958592,
"formula_full": "Zr2 Ga2 Cu2",
"formula_reduced": "ZrGaCu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "mp-1074645",
"created_at": "2022-09-04T14:42:05.370923Z",
"structure_string": "Mg8 Si4\n1.0\n5.160679 0.000000 0.000000\n-0.914700 6.529528 0.000000\n-1.455740 -2.638214 7.108288\nMg Si\n8 4\ndirect\n0.119258 0.604244 0.247769 Mg\n0.240595 0.921010 0.048295 Mg\n0.880742 0.395756 0.752231 Mg\n0.616989 0.397558 0.334158 Mg\n0.290816 0.065142 0.596858 Mg\n0.759405 0.078990 0.951705 Mg\n0.709184 0.934858 0.403142 Mg\n0.383011 0.602442 0.665842 Mg\n0.918257 0.768242 0.670806 Si\n0.081743 0.231758 0.329194 Si\n0.348107 0.325193 0.948413 Si\n0.651893 0.674807 0.051587 Si\n",
"nsites": 12,
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],
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"density": 2.126793486615,
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"volume": 239.5265450716038,
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"formula_full": "Mg8 Si4",
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"energy": -33.972340530000004,
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{
"id": "mp-3605",
"created_at": "2022-09-04T14:40:14.803278Z",
"structure_string": "Th1 Co2 Ge2\n1.0\n-2.075341 2.075341 4.904263\n2.075341 -2.075341 4.904263\n2.075341 2.075341 -4.904263\nTh Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.634058 0.634058 0.000000 Ge\n0.365942 0.365942 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Co-Ge-Th",
"density": 9.732029585362142,
"density_atomic": 0.05917759742232294,
"volume": 84.49143286972821,
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"formula_full": "Th1 Co2 Ge2",
"formula_reduced": "Th(CoGe)2",
"formula_anonymous": "AB2C2",
"energy": -33.97181758,
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"updated_at": "2021-11-28T01:34:53.630000Z",
"spacegroup": 139
},
{
"id": "mp-9799",
"created_at": "2022-09-04T14:48:15.714033Z",
"structure_string": "Yb4 As2 O1\n1.0\n-2.257755 2.257755 7.654800\n2.257755 -2.257755 7.654800\n2.257755 2.257755 -7.654800\nYb As O\n4 2 1\ndirect\n0.831017 0.831017 0.000000 Yb\n0.168983 0.168983 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.636925 0.636925 0.000000 As\n0.363075 0.363075 0.000000 As\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 9.128306971949842,
"density_atomic": 0.04484877394683643,
"volume": 156.08007497145348,
"volume_molar": 13.427659732992083,
"formula_full": "Yb4 As2 O1",
"formula_reduced": "Yb4As2O",
"formula_anonymous": "AB2C4",
"energy": -33.97121786,
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"updated_at": "2021-11-28T01:38:38.916000Z",
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}
]
}