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{
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{
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{
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"id": "mp-780314",
"created_at": "2022-09-04T14:47:17.181732Z",
"structure_string": "Li6 V4 P8 H4 O32\n1.0\n8.078435 0.000000 0.000000\n0.000000 7.883896 0.000000\n0.000000 3.661710 9.036278\nLi V P H O\n6 4 8 4 32\ndirect\n0.866852 0.092944 0.777557 Li\n0.631600 0.600985 0.773084 Li\n0.132101 0.406282 0.730596 Li\n0.366852 0.907056 0.222443 Li\n0.632101 0.593718 0.269404 Li\n0.131600 0.399015 0.226916 Li\n0.496264 0.237621 0.751083 V\n0.003817 0.754294 0.747242 V\n0.503817 0.245706 0.252758 V\n0.996264 0.762379 0.248917 V\n0.151815 0.020560 0.932691 P\n0.348389 0.509928 0.932124 P\n0.648970 0.981900 0.568929 P\n0.148970 0.018100 0.431071 P\n0.842478 0.485456 0.565275 P\n0.342478 0.514544 0.434725 P\n0.651815 0.979440 0.067309 P\n0.848389 0.490072 0.067876 P\n0.489920 0.732870 0.985865 H\n0.488940 0.744236 0.494414 H\n0.988940 0.255764 0.505586 H\n0.989920 0.267130 0.014135 H\n0.054555 0.198130 0.904638 O\n0.671184 0.101597 0.898804 O\n0.327447 0.067951 0.866128 O\n0.050596 0.911974 0.859033 O\n0.452389 0.687055 0.902807 O\n0.828147 0.603174 0.900942 O\n0.182001 0.558106 0.852731 O\n0.454578 0.400884 0.857755 O\n0.546388 0.100348 0.642999 O\n0.815370 0.942263 0.651755 O\n0.166624 0.893032 0.594373 O\n0.560043 0.802145 0.592688 O\n0.951609 0.586896 0.639338 O\n0.674732 0.434934 0.646281 O\n0.060043 0.197855 0.407312 O\n0.666624 0.106968 0.405627 O\n0.321706 0.397238 0.601944 O\n0.936803 0.301755 0.591388 O\n0.315370 0.057737 0.348245 O\n0.046388 0.899652 0.357001 O\n0.436803 0.698245 0.408612 O\n0.821706 0.602762 0.398056 O\n0.174732 0.565066 0.353719 O\n0.451609 0.413104 0.360662 O\n0.550596 0.088026 0.140967 O\n0.827447 0.932049 0.133872 O\n0.171184 0.898403 0.101196 O\n0.554555 0.801870 0.095362 O\n0.954578 0.599116 0.142245 O\n0.682001 0.441894 0.147269 O\n0.328147 0.396826 0.099058 O\n0.952389 0.312945 0.097193 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.9118898403855646,
"density_atomic": 0.09382877681214466,
"volume": 575.5164016271237,
"volume_molar": 6.418223667198578,
"formula_full": "Li6 V4 P8 H4 O32",
"formula_reduced": "Li3V2P4(HO8)2",
"formula_anonymous": "A2B2C3D4E16",
"energy": -400.05017281,
"energy_per_atom": -7.4083365335185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.26617281,
"band_gap": 0.9941999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9958513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.051000Z",
"spacegroup": 4
}
]
}