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{
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{
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{
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{
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{
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{
"id": "mp-1215414",
"created_at": "2022-09-04T14:45:19.977200Z",
"structure_string": "Zr1 Ti4 Pb5 O15\n1.0\n2.787381 -13.952911 0.000000\n2.787381 13.952911 0.000000\n0.000000 0.000000 4.480422\nZr Ti Pb O\n1 4 5 15\ndirect\n0.500000 0.500000 0.535843 Zr\n0.102554 0.897446 0.529719 Ti\n0.897446 0.102554 0.529719 Ti\n0.299001 0.700999 0.529068 Ti\n0.700999 0.299001 0.529068 Ti\n0.603504 0.396496 0.978759 Pb\n0.000000 0.000000 0.978597 Pb\n0.396496 0.603504 0.978759 Pb\n0.799293 0.200707 0.977278 Pb\n0.200707 0.799293 0.977278 Pb\n0.402706 0.099197 0.629448 O\n0.597294 0.900803 0.629448 O\n0.000000 0.500000 0.626002 O\n0.812801 0.706526 0.628195 O\n0.187199 0.293474 0.628195 O\n0.500000 0.000000 0.626002 O\n0.706526 0.812801 0.628195 O\n0.099197 0.402706 0.629448 O\n0.900803 0.597294 0.629448 O\n0.293474 0.187199 0.628195 O\n0.700276 0.299724 0.135481 O\n0.896674 0.103326 0.136297 O\n0.299724 0.700276 0.135481 O\n0.103326 0.896674 0.136297 O\n0.500000 0.500000 0.091283 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.426716057754098,
"density_atomic": 0.07173480672433616,
"volume": 348.5058528988649,
"volume_molar": 8.395005207363274,
"formula_full": "Zr1 Ti4 Pb5 O15",
"formula_reduced": "ZrTi4(PbO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -201.41651119,
"energy_per_atom": -8.0566604476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.11151119,
"band_gap": 2.0719000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.154000Z",
"spacegroup": 35
}
]
}