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{
"id": "mp-754596",
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{
"id": "mp-36866",
"created_at": "2022-09-04T14:48:19.158558Z",
"structure_string": "Al4 Cd2 O8\n1.0\n0.000000 4.238678 4.238678\n4.238678 0.000000 4.238678\n4.238678 4.238678 0.000000\nAl Cd O\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.125000 0.125000 Al\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.936353 0.354549 0.354549 O\n0.354549 0.936353 0.354549 O\n0.354549 0.354549 0.936353 O\n0.354549 0.354549 0.354549 O\n0.313647 0.895451 0.895451 O\n0.895451 0.313647 0.895451 O\n0.895451 0.895451 0.313647 O\n0.895451 0.895451 0.895451 O\n",
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"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
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{
"id": "mp-22052",
"created_at": "2022-09-04T14:48:19.066349Z",
"structure_string": "Zn2 In4 S8\n1.0\n0.000000 5.376163 5.376163\n5.376163 0.000000 5.376163\n5.376163 5.376163 0.000000\nZn In S\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.625000 0.125000 0.125000 In\n0.125000 0.125000 0.125000 In\n0.125000 0.625000 0.125000 In\n0.125000 0.125000 0.625000 In\n0.370612 0.370612 0.370612 S\n0.361837 0.879388 0.879388 S\n0.879388 0.879388 0.361837 S\n0.879388 0.361837 0.879388 S\n0.370612 0.370612 0.888163 S\n0.370612 0.888163 0.370612 S\n0.879388 0.879388 0.879388 S\n0.888163 0.370612 0.370612 S\n",
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"volume": 310.77586115474634,
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"formula_full": "Zn2 In4 S8",
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{
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"created_at": "2022-09-04T14:48:18.947542Z",
"structure_string": "Nd4 Ru4 O14\n1.0\n0.000000 5.216704 5.216704\n5.216704 0.000000 5.216704\n5.216704 5.216704 0.000000\nNd Ru O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Nd\n0.125000 0.625000 0.125000 Nd\n0.125000 0.125000 0.625000 Nd\n0.125000 0.125000 0.125000 Nd\n0.125000 0.625000 0.625000 Ru\n0.625000 0.125000 0.625000 Ru\n0.625000 0.625000 0.125000 Ru\n0.625000 0.625000 0.625000 Ru\n0.704057 0.704057 0.295943 O\n0.295943 0.295943 0.704057 O\n0.704057 0.295943 0.704057 O\n0.295943 0.704057 0.295943 O\n0.295943 0.704057 0.704057 O\n0.704057 0.295943 0.295943 O\n0.545943 0.545943 0.954057 O\n0.954057 0.954057 0.545943 O\n0.545943 0.954057 0.545943 O\n0.954057 0.545943 0.954057 O\n0.954057 0.545943 0.545943 O\n0.545943 0.954057 0.954057 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 283.93477181844014,
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"formula_full": "Nd4 Ru4 O14",
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{
"id": "mp-1213216",
"created_at": "2022-09-04T14:48:18.506362Z",
"structure_string": "Dy8 Mn2\n1.0\n0.000000 5.275213 5.275213\n5.275213 0.000000 5.275213\n5.275213 5.275213 0.000000\nDy Mn\n8 2\ndirect\n0.385212 0.385212 0.385212 Dy\n0.385212 0.385212 0.844365 Dy\n0.385212 0.844365 0.385212 Dy\n0.864788 0.864788 0.405635 Dy\n0.864788 0.864788 0.864788 Dy\n0.844365 0.385212 0.385212 Dy\n0.864788 0.405635 0.864788 Dy\n0.405635 0.864788 0.864788 Dy\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n",
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"formula_full": "Dy8 Mn2",
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{
"id": "mp-1084785",
"created_at": "2022-09-04T14:48:18.562432Z",
"structure_string": "K2 Al2 O4\n1.0\n0.000000 4.029602 4.029602\n4.029602 0.000000 4.029602\n4.029602 4.029602 0.000000\nK Al O\n2 2 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Al\n0.125000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.625000 0.625000 0.625000 O\n",
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{
"id": "mp-1104860",
"created_at": "2022-09-04T14:48:18.157087Z",
"structure_string": "Al4 Zn2 Se8\n1.0\n0.000000 5.348529 5.348529\n5.348529 0.000000 5.348529\n5.348529 5.348529 0.000000\nAl Zn Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.846952 0.384349 0.384349 Se\n0.384349 0.846952 0.384349 Se\n0.384349 0.384349 0.846952 Se\n0.384349 0.384349 0.384349 Se\n0.403048 0.865651 0.865651 Se\n0.865651 0.403048 0.865651 Se\n0.865651 0.865651 0.403048 Se\n0.865651 0.865651 0.865651 Se\n",
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"formula_full": "Al4 Zn2 Se8",
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{
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"created_at": "2022-09-04T14:48:18.200789Z",
"structure_string": "Pr4 Te4 O14\n1.0\n0.000000 5.515994 5.515994\n5.515994 0.000000 5.515994\n5.515994 5.515994 0.000000\nPr Te O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Pr\n0.625000 0.125000 0.125000 Pr\n0.125000 0.125000 0.625000 Pr\n0.125000 0.625000 0.125000 Pr\n0.625000 0.625000 0.625000 Te\n0.125000 0.625000 0.625000 Te\n0.625000 0.625000 0.125000 Te\n0.625000 0.125000 0.625000 Te\n0.283291 0.283291 0.716709 O\n0.533291 0.533291 0.966709 O\n0.716709 0.283291 0.716709 O\n0.716709 0.283291 0.283291 O\n0.283291 0.716709 0.716709 O\n0.283291 0.716709 0.283291 O\n0.533291 0.966709 0.533291 O\n0.966709 0.533291 0.966709 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.716709 0.716709 0.283291 O\n0.966709 0.533291 0.533291 O\n0.533291 0.966709 0.966709 O\n0.966709 0.966709 0.533291 O\n",
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{
"id": "mp-768465",
"created_at": "2022-09-04T14:48:18.181562Z",
"structure_string": "Mg4 Fe2 O8\n1.0\n0.000000 4.250109 4.250109\n4.250109 0.000000 4.250109\n4.250109 4.250109 0.000000\nMg Fe O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.378532 0.864403 0.378532 O\n0.378532 0.378532 0.864403 O\n0.871468 0.385597 0.871468 O\n0.871468 0.871468 0.385597 O\n0.871468 0.871468 0.871468 O\n0.385597 0.871468 0.871468 O\n0.864403 0.378532 0.378532 O\n0.378532 0.378532 0.378532 O\n",
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{
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"structure_string": "Fe4 O8\n1.0\n0.000000 4.078300 4.078300\n4.078300 0.000000 4.078300\n4.078300 4.078300 0.000000\nFe O\n4 8\ndirect\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.914659 0.361780 0.361780 O\n0.361780 0.361780 0.361780 O\n0.335341 0.888220 0.888220 O\n0.888220 0.888220 0.335341 O\n0.888220 0.888220 0.888220 O\n0.888220 0.335341 0.888220 O\n0.361780 0.361780 0.914659 O\n0.361780 0.914659 0.361780 O\n",
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"id": "mp-756670",
"created_at": "2022-09-04T14:48:17.534350Z",
"structure_string": "Eu4 Pb4 O14\n1.0\n0.000000 5.321081 5.321081\n5.321081 0.000000 5.321081\n5.321081 5.321081 0.000000\nEu Pb O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Eu\n0.625000 0.625000 0.625000 Eu\n0.625000 0.125000 0.625000 Eu\n0.125000 0.625000 0.625000 Eu\n0.125000 0.125000 0.125000 Pb\n0.625000 0.125000 0.125000 Pb\n0.125000 0.625000 0.125000 Pb\n0.125000 0.125000 0.625000 Pb\n0.032380 0.467620 0.467620 O\n0.782380 0.782380 0.217620 O\n0.782380 0.217620 0.217620 O\n0.467620 0.032380 0.467620 O\n0.750000 0.750000 0.750000 O\n0.032380 0.032380 0.467620 O\n0.032380 0.467620 0.032380 O\n0.217620 0.782380 0.217620 O\n0.217620 0.217620 0.782380 O\n0.782380 0.217620 0.782380 O\n0.500000 0.500000 0.500000 O\n0.467620 0.032380 0.032380 O\n0.467620 0.467620 0.032380 O\n0.217620 0.782380 0.782380 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Pb",
"O"
],
"chemical_system": "Eu-O-Pb",
"density": 9.151598826508854,
"density_atomic": 0.07301180330428444,
"volume": 301.3211426693936,
"volume_molar": 8.248174250541503,
"formula_full": "Eu4 Pb4 O14",
"formula_reduced": "Eu2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy": -172.7495128,
"energy_per_atom": -7.852250581818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.1315128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:50.219000Z",
"spacegroup": 227
}
]
}