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{
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{
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{
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{
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{
"id": "mp-760083",
"created_at": "2022-09-04T14:43:58.857738Z",
"structure_string": "Sr10 Nb10 O32\n1.0\n4.048352 0.000000 0.000000\n0.000000 5.749999 0.000000\n0.000000 0.000000 33.200853\nSr Nb O\n10 10 32\ndirect\n0.000000 0.023693 0.529688 Sr\n0.000000 0.074811 0.751402 Sr\n0.000000 0.569430 0.664695 Sr\n0.000000 0.564903 0.841859 Sr\n0.000000 0.129277 0.967636 Sr\n0.500000 0.629277 0.032364 Sr\n0.500000 0.064903 0.158141 Sr\n0.500000 0.574811 0.248598 Sr\n0.500000 0.069430 0.335305 Sr\n0.500000 0.523693 0.470312 Sr\n0.000000 0.099519 0.072957 Nb\n0.000000 0.574864 0.159335 Nb\n0.000000 0.074161 0.248066 Nb\n0.000000 0.045073 0.423484 Nb\n0.000000 0.564382 0.338033 Nb\n0.500000 0.545073 0.576516 Nb\n0.500000 0.064382 0.661967 Nb\n0.500000 0.574161 0.751934 Nb\n0.500000 0.074864 0.840665 Nb\n0.500000 0.599519 0.927043 Nb\n0.000000 0.363274 0.040170 O\n0.000000 0.278932 0.128990 O\n0.000000 0.880133 0.029792 O\n0.000000 0.799144 0.117449 O\n0.000000 0.362461 0.212915 O\n0.000000 0.296850 0.296595 O\n0.000000 0.854500 0.200680 O\n0.000000 0.328225 0.381048 O\n0.000000 0.794542 0.286604 O\n0.000000 0.264436 0.466545 O\n0.000000 0.864796 0.370442 O\n0.000000 0.785457 0.458216 O\n0.000000 0.074449 0.666107 O\n0.000000 0.066614 0.834400 O\n0.000000 0.573674 0.751570 O\n0.000000 0.573029 0.919655 O\n0.500000 0.073029 0.080345 O\n0.500000 0.566614 0.165600 O\n0.500000 0.073674 0.248430 O\n0.500000 0.574449 0.333893 O\n0.500000 0.285457 0.541784 O\n0.500000 0.764436 0.533455 O\n0.500000 0.294542 0.713396 O\n0.500000 0.828225 0.618952 O\n0.500000 0.364796 0.629558 O\n0.500000 0.796850 0.703405 O\n0.500000 0.862461 0.787085 O\n0.500000 0.354500 0.799320 O\n0.500000 0.299144 0.882551 O\n0.500000 0.778932 0.871010 O\n0.500000 0.380133 0.970208 O\n0.500000 0.863274 0.959830 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Sr",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr",
"density": 4.9788116645545895,
"density_atomic": 0.06728342113455077,
"volume": 772.8501185457325,
"volume_molar": 8.95040807743286,
"formula_full": "Sr10 Nb10 O32",
"formula_reduced": "Sr5Nb5O16",
"formula_anonymous": "A5B5C16",
"energy": -441.82127539999993,
"energy_per_atom": -8.496562988461537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -419.8372754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009056,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.352000Z",
"spacegroup": 31
}
]
}