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"id": "mp-757646",
"created_at": "2022-09-04T14:42:11.538063Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.009634 0.080684 6.199997\n-0.004801 8.508861 0.066644\n-10.717639 0.006139 -0.016711\nLi Mn P O\n12 4 8 32\ndirect\n0.000027 0.000308 0.000139 Li\n0.000204 0.499934 0.250229 Li\n0.999819 0.000189 0.500221 Li\n0.999909 0.500132 0.750282 Li\n0.230606 0.331337 0.500164 Li\n0.230402 0.831497 0.750048 Li\n0.230592 0.331479 0.999866 Li\n0.230395 0.831321 0.249759 Li\n0.769418 0.168504 0.250230 Li\n0.769579 0.668505 0.500124 Li\n0.769407 0.168687 0.750003 Li\n0.769660 0.668677 0.000327 Li\n0.500151 0.999999 0.000031 Mn\n0.499930 0.500093 0.250081 Mn\n0.499740 0.999925 0.499850 Mn\n0.499832 0.499927 0.749803 Mn\n0.732381 0.353416 0.500072 P\n0.732234 0.853552 0.750016 P\n0.732418 0.353550 0.000044 P\n0.732272 0.853439 0.250008 P\n0.267618 0.146458 0.249920 P\n0.267724 0.646435 0.499960 P\n0.267608 0.146552 0.749926 P\n0.267805 0.646550 0.999986 P\n0.939189 0.255579 0.499946 O\n0.939059 0.755724 0.749890 O\n0.939248 0.255735 0.999822 O\n0.939024 0.755576 0.249868 O\n0.060792 0.244233 0.250070 O\n0.060937 0.744238 0.500031 O\n0.060803 0.244383 0.750119 O\n0.061025 0.744392 0.000193 O\n0.531258 0.252566 0.500018 O\n0.531080 0.752730 0.749970 O\n0.531272 0.252716 0.000042 O\n0.531131 0.752622 0.249939 O\n0.468722 0.247247 0.249981 O\n0.468881 0.747225 0.500039 O\n0.468746 0.247407 0.749930 O\n0.468936 0.747350 0.000021 O\n0.730426 0.469493 0.617070 O\n0.730254 0.969717 0.866989 O\n0.730577 0.469559 0.117116 O\n0.730244 0.969527 0.367017 O\n0.270415 0.030233 0.367509 O\n0.270341 0.530383 0.617596 O\n0.270438 0.030453 0.867518 O\n0.270551 0.530389 0.117587 O\n0.729714 0.469433 0.382427 O\n0.729586 0.969552 0.632354 O\n0.729560 0.469682 0.882448 O\n0.729674 0.969486 0.132382 O\n0.269511 0.030504 0.132835 O\n0.269763 0.530335 0.382970 O\n0.269442 0.030539 0.632875 O\n0.269671 0.530526 0.882940 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1216933514501375,
"density_atomic": 0.09905387337535175,
"volume": 565.3489166223243,
"volume_molar": 6.079662061452036,
"formula_full": "Li12 Mn4 P8 O32",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -405.66224975,
"energy_per_atom": -7.243968745535715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -377.00624975,
"band_gap": 0.2441999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.758000Z",
"spacegroup": 12
}
]
}