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{
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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-1196481",
"created_at": "2022-09-04T14:40:20.485843Z",
"structure_string": "Sr6 Te8 O22\n1.0\n7.686075 0.000000 0.000000\n-1.874799 9.215979 0.000000\n-3.342299 -2.126198 8.905729\nSr Te O\n6 8 22\ndirect\n0.473654 0.333303 0.323169 Sr\n0.042571 0.375952 0.530093 Sr\n0.486418 0.825920 0.826234 Sr\n0.316201 0.214561 0.885274 Sr\n0.869423 0.765023 0.589056 Sr\n0.886973 0.253102 0.088722 Sr\n0.102768 0.934417 0.004794 Te\n0.200111 0.546956 0.982208 Te\n0.640888 0.989630 0.252547 Te\n0.257688 0.656356 0.410325 Te\n0.721883 0.594616 0.164909 Te\n0.678182 0.103309 0.668024 Te\n0.682747 0.487805 0.749685 Te\n0.163252 0.043783 0.433775 Te\n0.738170 0.196793 0.339974 O\n0.131162 0.190721 0.320844 O\n0.379925 0.525953 0.514516 O\n0.870793 0.929190 0.372401 O\n0.700583 0.988262 0.082068 O\n0.152513 0.149511 0.607958 O\n0.790069 0.483954 0.602185 O\n0.474617 0.153418 0.516041 O\n0.887013 0.436220 0.900024 O\n0.347920 0.077715 0.112119 O\n0.575856 0.113810 0.818281 O\n0.016691 0.507920 0.302300 O\n0.750667 0.696453 0.822993 O\n0.606322 0.893567 0.601614 O\n0.185428 0.742254 0.562525 O\n0.169033 0.855193 0.846048 O\n0.981235 0.068686 0.907187 O\n0.216320 0.449571 0.806661 O\n0.229634 0.394879 0.088435 O\n0.492347 0.660006 0.051776 O\n0.620555 0.387293 0.079638 O\n0.665288 0.595599 0.336495 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 4.997418090157131,
"density_atomic": 0.05706724814956084,
"volume": 630.8346935820672,
"volume_molar": 10.55270922511855,
"formula_full": "Sr6 Te8 O22",
"formula_reduced": "Sr3Te4O11",
"formula_anonymous": "A3B4C11",
"energy": -225.31689288,
"energy_per_atom": -6.25880258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.20289288,
"band_gap": 3.1815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008686,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.789000Z",
"spacegroup": 1
}
]
}