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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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{
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{
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{
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"formula_reduced": "Sr(IO)2",
"formula_anonymous": "AB2C2",
"energy": -80.40027656999999,
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"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.11227657,
"band_gap": 0.5611999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0297736,
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"updated_at": "2021-11-28T01:36:54.266000Z",
"spacegroup": 14
},
{
"id": "mp-1179388",
"created_at": "2022-09-04T14:46:01.545962Z",
"structure_string": "Sr4 I8 O8\n1.0\n4.772379 0.000000 0.000000\n-0.081127 11.010864 0.000000\n-2.228642 -0.046075 11.634362\nSr I O\n4 8 8\ndirect\n0.387666 0.267123 0.156782 Sr\n0.580253 0.788845 0.358687 Sr\n0.567558 0.715212 0.858199 Sr\n0.382882 0.240546 0.664456 Sr\n0.195333 0.438413 0.917654 I\n0.015009 0.889390 0.622841 I\n0.982213 0.603625 0.122596 I\n0.168444 0.056024 0.424448 I\n0.386903 0.965650 0.119991 I\n0.611647 0.480965 0.375781 I\n0.615999 0.027011 0.880980 I\n0.388133 0.536369 0.617440 I\n0.860207 0.238244 0.100153 O\n0.086860 0.729348 0.378728 O\n0.078581 0.772010 0.879509 O\n0.851510 0.262048 0.598459 O\n0.911812 0.298106 0.204136 O\n0.019455 0.759363 0.261790 O\n0.011132 0.739240 0.761731 O\n0.898403 0.192469 0.695638 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.05710986074261,
"density_atomic": 0.03271380785559656,
"volume": 611.3626419853924,
"volume_molar": 18.408559427207596,
"formula_full": "Sr4 I8 O8",
"formula_reduced": "Sr(IO)2",
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"band_gap": 0.0,
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"total_magnetization": 0.2347446,
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"updated_at": "2021-11-28T01:37:20.628000Z",
"spacegroup": 1
}
]
}