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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_full": "Na4 Mn8 O16",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy": -210.61041916,
"energy_per_atom": -7.521800684285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.27441916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9985773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.601000Z",
"spacegroup": 59
},
{
"id": "mp-1203163",
"created_at": "2022-09-04T14:48:29.876306Z",
"structure_string": "Gd4 V4 Se8 O32\n1.0\n7.058584 0.000000 0.000000\n0.000000 6.836177 0.000000\n0.000000 0.294744 13.631909\nGd V Se O\n4 4 8 32\ndirect\n0.750000 0.376445 0.863503 Gd\n0.250000 0.623555 0.136497 Gd\n0.750000 0.922458 0.069127 Gd\n0.250000 0.077542 0.930873 Gd\n0.508867 0.626464 0.613773 V\n0.008867 0.373536 0.386227 V\n0.491133 0.373536 0.386227 V\n0.991133 0.626464 0.613773 V\n0.250000 0.038010 0.649173 Se\n0.750000 0.961990 0.350827 Se\n0.750000 0.450694 0.138168 Se\n0.250000 0.549306 0.861832 Se\n0.750000 0.206842 0.592682 Se\n0.250000 0.793158 0.407318 Se\n0.750000 0.893163 0.839637 Se\n0.250000 0.106837 0.160363 Se\n0.250000 0.981920 0.770534 O\n0.750000 0.018080 0.229466 O\n0.445162 0.906039 0.605375 O\n0.945162 0.093961 0.394625 O\n0.554838 0.093961 0.394625 O\n0.054838 0.906039 0.605375 O\n0.750000 0.290767 0.040996 O\n0.250000 0.709233 0.959004 O\n0.574540 0.620932 0.107703 O\n0.074540 0.379068 0.892297 O\n0.425460 0.379068 0.892297 O\n0.925460 0.620932 0.107703 O\n0.750000 0.211514 0.716567 O\n0.250000 0.788486 0.283433 O\n0.554867 0.360645 0.562321 O\n0.054867 0.639355 0.437679 O\n0.445133 0.639355 0.437679 O\n0.945133 0.360645 0.562321 O\n0.750000 0.694160 0.918999 O\n0.250000 0.305840 0.081001 O\n0.576836 0.028137 0.900706 O\n0.076836 0.971863 0.099294 O\n0.423164 0.971863 0.099294 O\n0.923164 0.028137 0.900706 O\n0.562529 0.586698 0.731028 O\n0.062529 0.413302 0.268972 O\n0.437471 0.413302 0.268972 O\n0.937471 0.586698 0.731028 O\n0.750000 0.698417 0.571908 O\n0.250000 0.301583 0.428092 O\n0.250000 0.575951 0.616874 O\n0.750000 0.424049 0.383126 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Gd",
"V",
"Se",
"O"
],
"chemical_system": "Gd-O-Se-V",
"density": 4.989330431972655,
"density_atomic": 0.07297156708024646,
"volume": 657.7904507273996,
"volume_molar": 8.252722260133844,
"formula_full": "Gd4 V4 Se8 O32",
"formula_reduced": "GdV(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy": -382.89545556,
"energy_per_atom": -7.976988657500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.11145556,
"band_gap": 2.0264,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9943545,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:42.219000Z",
"spacegroup": 11
}
]
}