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{
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{
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{
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{
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{
"id": "mp-1355499",
"created_at": "2022-09-04T14:47:36.249138Z",
"structure_string": "Li1 Te3\n1.0\n-3.104027 3.104027 3.104027\n3.104027 -3.104027 3.104027\n3.104027 3.104027 -3.104027\nLi Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.500000 Te\n",
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{
"id": "mp-1191851",
"created_at": "2022-09-04T14:47:32.952555Z",
"structure_string": "Yb6 Si4 Ni12\n1.0\n-4.349350 4.349350 4.349350\n4.349350 -4.349350 4.349350\n4.349350 4.349350 -4.349350\nYb Si Ni\n6 4 12\ndirect\n0.701381 0.701381 0.000000 Yb\n0.298619 0.000000 0.298619 Yb\n0.000000 0.298619 0.298619 Yb\n0.298619 0.298619 0.000000 Yb\n0.701381 0.000000 0.701381 Yb\n0.000000 0.701381 0.701381 Yb\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.326399 0.326399 0.652798 Ni\n0.673601 0.000000 0.326399 Ni\n0.000000 0.673601 0.326399 Ni\n0.673601 0.326399 0.000000 Ni\n0.326399 0.652798 0.326399 Ni\n0.000000 0.326399 0.673601 Ni\n0.326399 0.673601 0.000000 Ni\n0.326399 0.000000 0.673601 Ni\n0.652798 0.326399 0.326399 Ni\n0.673601 0.673601 0.347202 Ni\n0.673601 0.347202 0.673601 Ni\n0.347202 0.673601 0.673601 Ni\n",
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{
"id": "mp-1204639",
"created_at": "2022-09-04T14:47:28.266574Z",
"structure_string": "Sm6 Al4 Ni12 H18\n1.0\n-4.663484 4.663484 4.663484\n4.663484 -4.663484 4.663484\n4.663484 4.663484 -4.663484\nSm Al Ni H\n6 4 12 18\ndirect\n0.728671 0.728671 0.000000 Sm\n0.271329 0.000000 0.271329 Sm\n0.000000 0.271329 0.271329 Sm\n0.271329 0.271329 0.000000 Sm\n0.728671 0.000000 0.728671 Sm\n0.000000 0.728671 0.728671 Sm\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.338003 0.338003 0.676007 Ni\n0.661997 0.000000 0.338003 Ni\n0.000000 0.661997 0.338003 Ni\n0.661997 0.338003 0.000000 Ni\n0.338003 0.676007 0.338003 Ni\n0.000000 0.338003 0.661997 Ni\n0.338003 0.661997 0.000000 Ni\n0.338003 0.000000 0.661997 Ni\n0.676007 0.338003 0.338003 Ni\n0.661997 0.661997 0.323993 Ni\n0.661997 0.323993 0.661997 Ni\n0.323993 0.661997 0.661997 Ni\n0.000000 0.000000 0.728625 H\n0.000000 0.728625 0.000000 H\n0.728625 0.000000 0.000000 H\n0.271375 0.271375 0.271375 H\n0.000000 0.000000 0.271375 H\n0.000000 0.271375 0.000000 H\n0.271375 0.000000 0.000000 H\n0.728625 0.728625 0.728625 H\n0.500000 0.750000 0.250000 H\n0.250000 0.750000 0.500000 H\n0.250000 0.500000 0.750000 H\n0.500000 0.250000 0.750000 H\n0.750000 0.500000 0.250000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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{
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{
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{
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"structure_string": "U4 Ga12 Rh1\n1.0\n-4.308934 4.308934 4.308934\n4.308934 -4.308934 4.308934\n4.308934 4.308934 -4.308934\nU Ga Rh\n4 12 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.750000 0.250000 0.500000 Ga\n0.000000 0.708881 0.708881 Ga\n0.291119 0.000000 0.291119 Ga\n0.500000 0.250000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.250000 0.750000 0.500000 Ga\n0.250000 0.500000 0.750000 Ga\n0.708881 0.000000 0.708881 Ga\n0.500000 0.750000 0.250000 Ga\n0.708881 0.708881 0.000000 Ga\n0.291119 0.291119 0.000000 Ga\n0.000000 0.291119 0.291119 Ga\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
"id": "mp-1227923",
"created_at": "2022-09-04T14:47:23.648903Z",
"structure_string": "Ba1 La3 Mn4 O12\n1.0\n3.950554 3.946924 3.946940\n-3.950541 3.946858 3.946993\n-3.950606 -3.946959 3.947028\nBa La Mn O\n1 3 4 12\ndirect\n0.999998 0.000000 0.000000 Ba\n0.500002 0.000002 0.500000 La\n0.000003 0.500004 0.500003 La\n0.500002 0.499999 0.999997 La\n0.500002 0.499997 0.500002 Mn\n0.500000 0.000000 0.000003 Mn\n0.999999 0.000002 0.499999 Mn\n0.000001 0.499995 0.000002 Mn\n0.257236 0.742764 0.514505 O\n0.257253 0.257260 0.999998 O\n0.742760 0.257236 0.485492 O\n0.742745 0.742740 0.000001 O\n0.257280 0.485528 0.257238 O\n0.257219 0.999964 0.742745 O\n0.742781 0.000037 0.257252 O\n0.742719 0.514472 0.742762 O\n0.485529 0.257288 0.742754 O\n0.514468 0.742715 0.257245 O\n0.000037 0.742784 0.742747 O\n0.999965 0.257214 0.257255 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.514654291587576,
"density_atomic": 0.08124381192910439,
"volume": 246.1725948734724,
"volume_molar": 7.412430087912526,
"formula_full": "Ba1 La3 Mn4 O12",
"formula_reduced": "BaLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -169.71620601,
"energy_per_atom": -8.4858103005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.80020601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.00619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.787000Z",
"spacegroup": 229
}
]
}