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{
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"id": "mp-1332900",
"created_at": "2022-09-04T14:39:49.957160Z",
"structure_string": "Li12 Cr8 P12 O48\n1.0\n4.411878 7.936056 0.000000\n-4.411878 7.936056 0.000000\n0.000000 7.863858 14.356668\nLi Cr P O\n12 8 12 48\ndirect\n0.097508 0.321712 0.401992 Li\n0.194615 0.528534 0.807725 Li\n0.602994 0.397006 0.500000 Li\n0.471466 0.805385 0.192275 Li\n0.678288 0.902492 0.598008 Li\n0.994670 0.000930 0.250112 Li\n0.320697 0.103597 0.900848 Li\n0.530021 0.193306 0.307311 Li\n0.404831 0.603027 0.998019 Li\n0.806694 0.469979 0.692689 Li\n0.896403 0.679303 0.099152 Li\n0.999070 0.005330 0.749888 Li\n0.245237 0.241393 0.220175 Cr\n0.643155 0.172753 0.914968 Cr\n0.827247 0.356845 0.085032 Cr\n0.758607 0.754763 0.779825 Cr\n0.240104 0.248993 0.718480 Cr\n0.169663 0.646267 0.413955 Cr\n0.353733 0.830337 0.586045 Cr\n0.751007 0.759896 0.281520 Cr\n0.333994 0.896602 0.377460 P\n0.252033 0.220246 0.061094 P\n0.623550 0.189868 0.720127 P\n0.810132 0.376450 0.279873 P\n0.779754 0.747967 0.938906 P\n0.103398 0.666006 0.622540 P\n0.895392 0.336883 0.876127 P\n0.218813 0.255161 0.559226 P\n0.186758 0.625992 0.219790 P\n0.374008 0.813242 0.780210 P\n0.744839 0.781187 0.440774 P\n0.663117 0.104608 0.123873 P\n0.196859 0.389653 0.461841 O\n0.060135 0.325498 0.642801 O\n0.875673 0.178521 0.875858 O\n0.498460 0.197015 0.197118 O\n0.174631 0.441137 0.269911 O\n0.604540 0.203643 0.032424 O\n0.278278 0.101050 0.351854 O\n0.204602 0.387879 0.088622 O\n0.648090 0.270264 0.779875 O\n0.774267 0.913489 0.947924 O\n0.639645 0.300678 0.620184 O\n0.385456 0.200505 0.963198 O\n0.008210 0.227169 0.267533 O\n0.324336 0.061368 0.144042 O\n0.772831 0.991790 0.732467 O\n0.176428 0.877182 0.376480 O\n0.699322 0.360355 0.379816 O\n0.193404 0.502732 0.696555 O\n0.086511 0.225733 0.052076 O\n0.438559 0.178261 0.769315 O\n0.198453 0.605175 0.532399 O\n0.729736 0.351910 0.220125 O\n0.898950 0.721722 0.648146 O\n0.612121 0.795398 0.911378 O\n0.386343 0.207583 0.586897 O\n0.099477 0.282064 0.850369 O\n0.267229 0.652064 0.278841 O\n0.796357 0.395460 0.967576 O\n0.558863 0.825369 0.730089 O\n0.911155 0.782650 0.443924 O\n0.802985 0.501540 0.802882 O\n0.296593 0.642107 0.119671 O\n0.821479 0.124327 0.124142 O\n0.228642 0.010521 0.765905 O\n0.674502 0.939865 0.357199 O\n0.989479 0.771358 0.234095 O\n0.610347 0.803141 0.538159 O\n0.357893 0.703407 0.880329 O\n0.217350 0.088845 0.556076 O\n0.347936 0.732771 0.721159 O\n0.792417 0.613657 0.413103 O\n0.717936 0.900523 0.149631 O\n0.394825 0.801547 0.467601 O\n0.821739 0.561441 0.230685 O\n0.497268 0.806596 0.303445 O\n0.122818 0.823572 0.623520 O\n0.938632 0.675664 0.855958 O\n0.799495 0.614544 0.036802 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.707037203195544,
"density_atomic": 0.07957526905135097,
"volume": 1005.3374742393261,
"volume_molar": 7.56785472646512,
"formula_full": "Li12 Cr8 P12 O48",
"formula_reduced": "Li3Cr2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -608.91979079,
"energy_per_atom": -7.611497384874999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -559.95179079,
"band_gap": 2.2661999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.205000Z",
"spacegroup": 1
}
]
}