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"results": [
{
"id": "mp-1110931",
"created_at": "2022-09-04T14:42:06.925317Z",
"structure_string": "K2 In2 Br6\n1.0\n0.000000 5.785304 5.785304\n5.785304 0.000000 5.785304\n5.785304 5.785304 0.000000\nK In Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.764072 0.235928 0.235928 Br\n0.235928 0.235928 0.764072 Br\n0.235928 0.764072 0.764072 Br\n0.235928 0.764072 0.235928 Br\n0.764072 0.235928 0.764072 Br\n0.764072 0.764072 0.235928 Br\n",
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{
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"created_at": "2022-09-04T14:42:07.046697Z",
"structure_string": "Ho2 Mg1 Ru1\n1.0\n0.000000 3.538257 3.538257\n3.538257 0.000000 3.538257\n3.538257 3.538257 0.000000\nHo Mg Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "mp-1111035",
"created_at": "2022-09-04T14:42:07.054200Z",
"structure_string": "Rb2 Lu1 Cu1 Cl6\n1.0\n0.000000 5.160760 5.160760\n5.160760 0.000000 5.160760\n5.160760 5.160760 0.000000\nRb Lu Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cu\n0.749435 0.250565 0.250565 Cl\n0.250565 0.250565 0.749435 Cl\n0.250565 0.749435 0.749435 Cl\n0.250565 0.749435 0.250565 Cl\n0.749435 0.250565 0.749435 Cl\n0.749435 0.749435 0.250565 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Cu-Lu-Rb",
"density": 3.7582425609557952,
"density_atomic": 0.0363771789101505,
"volume": 274.8976226193739,
"volume_molar": 16.554721780032295,
"formula_full": "Rb2 Lu1 Cu1 Cl6",
"formula_reduced": "Rb2LuCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.04841748,
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"updated_at": "2021-11-28T01:35:39.712000Z",
"spacegroup": 225
},
{
"id": "mp-865514",
"created_at": "2022-09-04T14:42:06.955335Z",
"structure_string": "Y1 Sn1 Au2\n1.0\n0.000000 3.533180 3.533180\n3.533180 0.000000 3.533180\n3.533180 3.533180 0.000000\nY Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"density": 11.323816213765616,
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"volume": 88.21192221694689,
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"formula_full": "Y1 Sn1 Au2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:44.208000Z",
"spacegroup": 225
},
{
"id": "mp-1113230",
"created_at": "2022-09-04T14:42:06.985864Z",
"structure_string": "Cs2 Pr1 Ag1 F6\n1.0\n0.000000 4.804842 4.804842\n4.804842 0.000000 4.804842\n4.804842 4.804842 0.000000\nCs Pr Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.739808 0.260192 0.260192 F\n0.260192 0.260192 0.739808 F\n0.260192 0.739808 0.739808 F\n0.260192 0.739808 0.260192 F\n0.739808 0.260192 0.739808 F\n0.739808 0.739808 0.260192 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ag-Cs-F-Pr",
"density": 4.704791414287996,
"density_atomic": 0.045074681948517145,
"volume": 221.8540335220042,
"volume_molar": 13.360362180432677,
"formula_full": "Cs2 Pr1 Ag1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -52.3807994,
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"total_magnetization": 2.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.749000Z",
"spacegroup": 225
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{
"id": "mp-1187630",
"created_at": "2022-09-04T14:42:07.262914Z",
"structure_string": "Yb1 Ho1 Zn2\n1.0\n0.000000 3.554151 3.554151\n3.554151 0.000000 3.554151\n3.554151 3.554151 0.000000\nYb Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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"chemical_system": "Ho-Yb-Zn",
"density": 8.669384382391224,
"density_atomic": 0.044547400900558,
"volume": 89.79199502411142,
"volume_molar": 13.518500828910462,
"formula_full": "Yb1 Ho1 Zn2",
"formula_reduced": "YbHoZn2",
"formula_anonymous": "ABC2",
"energy": -9.98900717,
"energy_per_atom": -2.4972517925,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:45.686000Z",
"spacegroup": 225
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{
"id": "mp-1078725",
"created_at": "2022-09-04T14:42:07.100752Z",
"structure_string": "Ba2 U1 Zn1 O6\n1.0\n0.000000 4.250028 4.250028\n4.250028 0.000000 4.250028\n4.250028 4.250028 0.000000\nBa U Zn O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Zn\n0.746169 0.746169 0.253831 O\n0.253831 0.746169 0.253831 O\n0.746169 0.253831 0.253831 O\n0.253831 0.253831 0.746169 O\n0.746169 0.253831 0.746169 O\n0.253831 0.746169 0.746169 O\n",
"nsites": 10,
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"elements": [
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"U",
"Zn",
"O"
],
"chemical_system": "Ba-O-U-Zn",
"density": 7.290553875916997,
"density_atomic": 0.06513203243994585,
"volume": 153.53428451999207,
"volume_molar": 9.246050728652813,
"formula_full": "Ba2 U1 Zn1 O6",
"formula_reduced": "Ba2UZnO6",
"formula_anonymous": "ABC2D6",
"energy": -77.8443395,
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"updated_at": "2021-11-28T01:35:31.879000Z",
"spacegroup": 225
},
{
"id": "mp-973443",
"created_at": "2022-09-04T14:42:07.129753Z",
"structure_string": "Hf2 Re1 Tc1\n1.0\n0.000000 3.270413 3.270413\n3.270413 0.000000 3.270413\n3.270413 3.270413 0.000000\nHf Re Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"density": 15.219346645818876,
"density_atomic": 0.057177109210279346,
"volume": 69.95806635290468,
"volume_molar": 10.532433071865295,
"formula_full": "Hf2 Re1 Tc1",
"formula_reduced": "Hf2ReTc",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:45.210000Z",
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{
"id": "mp-978096",
"created_at": "2022-09-04T14:42:07.321874Z",
"structure_string": "Pu3 Au1\n1.0\n0.000000 3.368213 3.368213\n3.368213 0.000000 3.368213\n3.368213 3.368213 0.000000\nPu Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Pu\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Au\n",
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"volume": 76.42380187670807,
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"formula_full": "Pu3 Au1",
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{
"id": "mp-1184648",
"created_at": "2022-09-04T14:42:07.335501Z",
"structure_string": "Hf1 Zr1 Fe2\n1.0\n0.000000 3.165493 3.165493\n3.165493 0.000000 3.165493\n3.165493 3.165493 0.000000\nHf Zr Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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{
"id": "mp-1110914",
"created_at": "2022-09-04T14:42:07.411415Z",
"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n0.000000 5.750043 5.750043\n5.750043 0.000000 5.750043\n5.750043 5.750043 0.000000\nK Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751669 0.248331 0.248331 Br\n0.248331 0.248331 0.751669 Br\n0.248331 0.751669 0.751669 Br\n0.248331 0.751669 0.248331 Br\n0.751669 0.248331 0.751669 Br\n0.751669 0.751669 0.248331 Br\n",
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"volume": 380.22728018879064,
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"formula_full": "K2 Pr1 Ag1 Br6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:42:07.418303Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n0.000000 3.502362 3.502362\n3.502362 0.000000 3.502362\n3.502362 3.502362 0.000000\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"density": 10.059663144273435,
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"volume": 85.92372418627943,
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]
}