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"updated_at": "2021-11-28T01:34:55.936000Z",
"spacegroup": 88
},
{
"id": "mp-1177591",
"created_at": "2022-09-04T14:40:08.472977Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.375988 0.000000 0.000000\n-0.122997 8.786201 0.000000\n-0.426604 -0.247623 12.620631\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.000086 0.999817 0.996910 Li\n0.001725 0.894015 0.754745 Li\n0.996789 0.989603 0.502487 Li\n0.988039 0.104797 0.242400 Li\n0.286824 0.189897 0.954746 Li\n0.289046 0.813595 0.451898 Li\n0.503616 0.496190 0.997932 Li\n0.501419 0.607777 0.745180 Li\n0.510442 0.505224 0.497384 Li\n0.497743 0.399465 0.251627 Li\n0.714618 0.180060 0.550830 Li\n0.709473 0.808545 0.046058 Li\n0.210236 0.500180 0.853610 Mn\n0.716363 0.998606 0.355856 Mn\n0.788634 0.496476 0.646777 Mn\n0.788680 0.501295 0.145958 Mn\n0.212076 0.497902 0.357278 V\n0.284944 0.002749 0.641334 V\n0.284848 0.998694 0.143137 V\n0.716218 0.002466 0.857208 V\n0.000999 0.201291 0.750237 P\n0.000533 0.795820 0.250762 P\n0.157950 0.642501 0.604174 P\n0.157740 0.356889 0.108062 P\n0.341974 0.855639 0.896324 P\n0.350688 0.144303 0.397633 P\n0.501579 0.297168 0.752367 P\n0.502934 0.708064 0.250439 P\n0.652960 0.854310 0.604102 P\n0.659862 0.149428 0.101028 P\n0.840671 0.643981 0.892671 P\n0.830847 0.353176 0.394276 P\n0.007315 0.574493 0.893887 O\n0.000814 0.416701 0.391737 O\n0.070773 0.090163 0.665614 O\n0.069612 0.904131 0.166116 O\n0.130324 0.297610 0.811552 O\n0.126110 0.702002 0.310008 O\n0.139933 0.819730 0.591315 O\n0.135597 0.178350 0.097100 O\n0.258826 0.600364 0.702082 O\n0.247017 0.943332 0.982400 O\n0.250416 0.592171 0.504317 O\n0.248851 0.402216 0.213069 O\n0.250717 0.056003 0.479568 O\n0.268200 0.907367 0.789601 O\n0.262562 0.403298 0.015123 O\n0.279220 0.094916 0.287831 O\n0.333604 0.679644 0.909588 O\n0.345932 0.320165 0.413262 O\n0.381175 0.201054 0.686320 O\n0.386758 0.805507 0.187328 O\n0.428137 0.409465 0.835700 O\n0.430555 0.601872 0.334702 O\n0.474629 0.900568 0.590149 O\n0.479525 0.107174 0.093266 O\n0.522392 0.893136 0.909125 O\n0.529890 0.103654 0.410720 O\n0.577812 0.403693 0.667485 O\n0.575526 0.598439 0.164838 O\n0.616727 0.199269 0.815552 O\n0.624940 0.806662 0.314998 O\n0.649149 0.679962 0.586034 O\n0.660398 0.326050 0.087037 O\n0.721207 0.899444 0.716460 O\n0.736804 0.596889 0.986046 O\n0.743639 0.099251 0.204007 O\n0.757116 0.945115 0.527570 O\n0.747418 0.602803 0.788561 O\n0.737926 0.397853 0.494503 O\n0.751980 0.064393 0.012502 O\n0.731125 0.397701 0.296373 O\n0.865697 0.822144 0.906059 O\n0.854100 0.173935 0.403274 O\n0.873363 0.289392 0.690019 O\n0.871138 0.702145 0.188138 O\n0.935236 0.092177 0.835648 O\n0.931649 0.906908 0.336060 O\n0.987657 0.577505 0.606347 O\n0.989957 0.423260 0.105574 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9436336076630325,
"density_atomic": 0.08613342903212025,
"volume": 928.791537721864,
"volume_molar": 6.991641721072394,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.80010132,
"energy_per_atom": -7.585001266499999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -560.35210132,
"band_gap": 0.6613,
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"total_magnetization": 24.0002206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.699000Z",
"spacegroup": 1
},
{
"id": "mp-1277669",
"created_at": "2022-09-04T14:40:08.474330Z",
"structure_string": "Li8 Ti2 Co6 O16\n1.0\n-0.002480 -3.080643 5.040233\n1.698828 -2.581646 -5.041821\n8.643964 2.583638 5.037739\nLi Ti Co O\n8 2 6 16\ndirect\n0.249253 0.749339 0.250635 Li\n0.750749 0.250662 0.749364 Li\n0.750127 0.250835 0.248956 Li\n0.249874 0.749165 0.751045 Li\n0.749037 0.749322 0.749672 Li\n0.250965 0.250678 0.250327 Li\n0.250164 0.251156 0.748635 Li\n0.749838 0.748843 0.251365 Li\n0.499992 0.499999 0.500004 Ti\n0.999990 0.999999 0.000001 Ti\n0.999999 0.999999 0.500000 Co\n0.500001 0.499999 0.999999 Co\n0.999999 0.500000 0.000000 Co\n0.500001 0.000000 0.499999 Co\n0.000000 0.499999 0.499999 Co\n0.500002 0.000002 0.999999 Co\n0.361331 0.638390 0.888509 O\n0.867322 0.111611 0.391830 O\n0.132678 0.888386 0.608168 O\n0.638670 0.361608 0.111491 O\n0.877861 0.122329 0.883698 O\n0.385116 0.630097 0.383614 O\n0.614885 0.369899 0.616385 O\n0.122143 0.877674 0.116305 O\n0.857288 0.622016 0.384221 O\n0.358267 0.116843 0.884104 O\n0.380211 0.141490 0.383561 O\n0.883215 0.642152 0.883178 O\n0.641729 0.883155 0.115897 O\n0.142715 0.377987 0.615777 O\n0.116790 0.357849 0.116822 O\n0.619797 0.858514 0.616438 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.279574337654923,
"density_atomic": 0.10839306936315282,
"volume": 295.22182726267636,
"volume_molar": 5.555835622500758,
"formula_full": "Li8 Ti2 Co6 O16",
"formula_reduced": "Li4TiCo3O8",
"formula_anonymous": "AB3C4D8",
"energy": -218.72251281,
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"updated_at": "2021-11-28T01:34:53.989000Z",
"spacegroup": 15
}
]
}