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{
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"results": [
{
"id": "mp-9833",
"created_at": "2022-09-04T14:43:58.317360Z",
"structure_string": "Pr1 Ga1 O3\n1.0\n4.603177 0.000000 0.000000\n0.000000 4.603177 0.000000\n0.000000 0.000000 4.603177\nPr Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"density": 4.403044172580138,
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{
"id": "mp-510381",
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"structure_string": "Fe3 Ni1 N1\n1.0\n4.290839 0.000000 0.000000\n0.000000 4.290839 0.000000\n0.000000 0.000000 4.290839\nFe Ni N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 N\n",
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"density": 5.049622363683991,
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"volume": 78.99992117975385,
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"updated_at": "2021-11-28T01:37:34.260000Z",
"spacegroup": 221
},
{
"id": "mp-1221983",
"created_at": "2022-09-04T14:42:17.908144Z",
"structure_string": "Mg1 Mn1 Ni2 Sb2\n1.0\n-3.071271 -3.071271 0.000000\n0.000000 3.071271 -3.071271\n3.116996 -3.116996 -6.188268\nMg Mn Ni Sb\n1 1 2 2\ndirect\n0.996937 0.993873 0.009190 Mg\n0.502330 0.004660 0.493010 Mn\n0.247455 0.494911 0.257634 Ni\n0.750829 0.501658 0.747513 Ni\n0.870848 0.741696 0.387455 Sb\n0.381601 0.763202 0.855197 Sb\n",
"nsites": 6,
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"elements": [
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"Ni",
"Sb"
],
"chemical_system": "Mg-Mn-Ni-Sb",
"density": 6.237531585818795,
"density_atomic": 0.051205234277968956,
"volume": 117.17552091313249,
"volume_molar": 11.760791342753459,
"formula_full": "Mg1 Mn1 Ni2 Sb2",
"formula_reduced": "MgMn(NiSb)2",
"formula_anonymous": "ABC2D2",
"energy": -30.60380473,
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"updated_at": "2021-11-28T01:35:43.381000Z",
"spacegroup": 160
},
{
"id": "mp-1216480",
"created_at": "2022-09-04T14:46:07.002197Z",
"structure_string": "V3 Ga1\n1.0\n1.576870 -2.093434 0.000000\n1.576870 2.093434 0.000000\n0.000000 0.000000 8.418009\nV Ga\n3 1\ndirect\n0.500000 0.500000 0.744071 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.255929 V\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-V",
"density": 6.649320580371982,
"density_atomic": 0.07197231064326137,
"volume": 55.576929019639756,
"volume_molar": 8.367302239119986,
"formula_full": "V3 Ga1",
"formula_reduced": "V3Ga",
"formula_anonymous": "AB3",
"energy": -30.6036037,
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"updated_at": "2021-11-28T01:37:25.730000Z",
"spacegroup": 65
},
{
"id": "mp-1018023",
"created_at": "2022-09-04T14:39:08.879980Z",
"structure_string": "Mn3 Sn1\n1.0\n0.000000 3.060496 3.060496\n3.060496 0.000000 3.060496\n3.060496 3.060496 0.000000\nMn Sn\n3 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Sn",
"density": 8.211711580525195,
"density_atomic": 0.06976772264630576,
"volume": 57.33310259069782,
"volume_molar": 8.631700350217574,
"formula_full": "Mn3 Sn1",
"formula_reduced": "Mn3Sn",
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"energy": -30.60331277,
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"energy_uncorrected": -30.60331277,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.1389367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.079000Z",
"spacegroup": 225
},
{
"id": "mp-23225",
"created_at": "2022-09-04T14:40:16.293862Z",
"structure_string": "B2 Br6\n1.0\n3.500060 -6.062282 0.000000\n3.500060 6.062282 0.000000\n0.000000 0.000000 8.243618\nB Br\n2 6\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.070170 0.384909 0.250000 Br\n0.685261 0.070170 0.750000 Br\n0.384909 0.314739 0.750000 Br\n0.615091 0.685261 0.250000 Br\n0.314739 0.929830 0.250000 Br\n0.929830 0.615091 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.3783031898137827,
"density_atomic": 0.022868122422236903,
"volume": 349.8319561303739,
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"formula_full": "B2 Br6",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy": -30.60052216,
"energy_per_atom": -3.82506527,
"energy_above_hull": null,
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"energy_uncorrected": -27.39652216,
"band_gap": 3.8273,
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"total_magnetization": 0.0010079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.394000Z",
"spacegroup": 176
},
{
"id": "mp-1187235",
"created_at": "2022-09-04T14:46:11.772268Z",
"structure_string": "Sr2 Pm6\n1.0\n3.805845 -6.591916 0.000000\n3.805845 6.591916 0.000000\n0.000000 0.000000 6.028205\nSr Pm\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160034 0.320068 0.250000 Pm\n0.679932 0.839966 0.250000 Pm\n0.160034 0.839966 0.250000 Pm\n0.839966 0.679932 0.750000 Pm\n0.320068 0.160034 0.750000 Pm\n0.839966 0.160034 0.750000 Pm\n",
"nsites": 8,
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"elements": [
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"Pm"
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"chemical_system": "Pm-Sr",
"density": 5.73831452400824,
"density_atomic": 0.026448997589584907,
"volume": 302.4689299813102,
"volume_molar": 22.76888089842543,
"formula_full": "Sr2 Pm6",
"formula_reduced": "SrPm3",
"formula_anonymous": "AB3",
"energy": -30.60049399,
"energy_per_atom": -3.82506174875,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.985000Z",
"spacegroup": 194
},
{
"id": "mp-1079133",
"created_at": "2022-09-04T14:45:33.908961Z",
"structure_string": "Lu2 Zn2 Sn4\n1.0\n4.327915 0.000000 0.000000\n0.000000 4.327915 0.000000\n0.000000 0.000000 9.745294\nLu Zn Sn\n2 2 4\ndirect\n0.000000 0.500000 0.750763 Lu\n0.500000 0.000000 0.249237 Lu\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.310003 Sn\n0.500000 0.000000 0.689997 Sn\n",
"nsites": 8,
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"elements": [
"Lu",
"Zn",
"Sn"
],
"chemical_system": "Lu-Sn-Zn",
"density": 8.692990635661694,
"density_atomic": 0.04382658142923572,
"volume": 182.5376230385923,
"volume_molar": 13.74084074917777,
"formula_full": "Lu2 Zn2 Sn4",
"formula_reduced": "LuZnSn2",
"formula_anonymous": "ABC2",
"energy": -30.60032375,
"energy_per_atom": -3.82504046875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:02.824000Z",
"spacegroup": 129
},
{
"id": "mp-1185921",
"created_at": "2022-09-04T14:45:54.281337Z",
"structure_string": "Mg1 Ni5\n1.0\n4.322651 -2.206251 0.000000\n4.322651 2.206251 0.000000\n3.196595 0.000000 3.651662\nMg Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.823336 0.500000 0.176664 Ni\n0.176664 0.823336 0.500000 Ni\n0.500000 0.176664 0.823336 Ni\n0.329700 0.329700 0.329700 Ni\n0.670300 0.670300 0.670300 Ni\n",
"nsites": 6,
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"elements": [
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"density": 7.575984270613196,
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"volume": 69.65072806690311,
"volume_molar": 6.990774807589554,
"formula_full": "Mg1 Ni5",
"formula_reduced": "MgNi5",
"formula_anonymous": "AB5",
"energy": -30.59802535,
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"updated_at": "2021-11-28T01:37:11.863000Z",
"spacegroup": 155
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{
"id": "mp-1471",
"created_at": "2022-09-04T14:42:49.435310Z",
"structure_string": "Zr3 Al1\n1.0\n4.386871 0.000000 0.000000\n0.000000 4.386871 0.000000\n0.000000 0.000000 4.386871\nZr Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n",
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"volume": 84.42374070940707,
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"formula_full": "Zr3 Al1",
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"updated_at": "2021-11-28T01:35:53.689000Z",
"spacegroup": 221
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{
"id": "mp-1112211",
"created_at": "2022-09-04T14:45:17.397111Z",
"structure_string": "K2 Al1 Hg1 Br6\n1.0\n0.000000 5.522294 5.522294\n5.522294 0.000000 5.522294\n5.522294 5.522294 0.000000\nK Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.769766 0.230234 0.230234 Br\n0.230234 0.230234 0.769766 Br\n0.230234 0.769766 0.769766 Br\n0.230234 0.769766 0.230234 Br\n0.769766 0.230234 0.769766 Br\n0.769766 0.769766 0.230234 Br\n",
"nsites": 10,
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"elements": [
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"Al",
"Hg",
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],
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"density": 3.8711185542239015,
"density_atomic": 0.029690084368147674,
"volume": 336.8127849016243,
"volume_molar": 20.28334000445184,
"formula_full": "K2 Al1 Hg1 Br6",
"formula_reduced": "K2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.59769811,
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"updated_at": "2021-11-28T01:36:56.563000Z",
"spacegroup": 225
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{
"id": "mp-1226545",
"created_at": "2022-09-04T14:45:42.690646Z",
"structure_string": "Ce1 Si1 Ge1 Pd2\n1.0\n-2.126909 2.126909 5.078102\n2.126909 -2.126909 5.078102\n2.126909 2.126909 -5.078102\nCe Si Ge Pd\n1 1 1 2\ndirect\n0.998978 0.998978 0.000000 Ce\n0.376020 0.376020 0.000000 Si\n0.613337 0.613337 0.000000 Ge\n0.755833 0.255833 0.500000 Pd\n0.255833 0.755833 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
"Ge",
"Pd"
],
"chemical_system": "Ce-Ge-Pd-Si",
"density": 8.198623412346802,
"density_atomic": 0.05441401538793879,
"volume": 91.88809104332854,
"volume_molar": 11.067260368612397,
"formula_full": "Ce1 Si1 Ge1 Pd2",
"formula_reduced": "CeSiGePd2",
"formula_anonymous": "ABCD2",
"energy": -30.59675007,
"energy_per_atom": -6.119350014,
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"updated_at": "2021-11-28T01:37:10.165000Z",
"spacegroup": 107
}
]
}