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{
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{
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{
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"updated_at": "2021-11-28T01:37:15.049000Z",
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},
{
"id": "mp-25408",
"created_at": "2022-09-04T14:45:54.186590Z",
"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n6.218402 0.000000 0.000000\n0.000000 5.159730 0.000000\n0.000000 0.536939 8.678073\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.975435 0.219773 0.204889 Li\n0.475435 0.780227 0.795111 Li\n0.753725 0.786714 0.340549 Mn\n0.253725 0.213286 0.659451 Mn\n0.257789 0.725684 0.430458 P\n0.757789 0.274316 0.569542 P\n0.747620 0.722210 0.067187 C\n0.247620 0.277790 0.932813 C\n0.450442 0.793497 0.323655 O\n0.757651 0.951517 0.127399 O\n0.266481 0.466246 0.821966 O\n0.766481 0.533754 0.178034 O\n0.563214 0.185060 0.671121 O\n0.767377 0.136248 0.416877 O\n0.950442 0.206503 0.676345 O\n0.257651 0.048483 0.872601 O\n0.063214 0.814940 0.328879 O\n0.246565 0.427914 0.470960 O\n0.716900 0.686983 0.930002 O\n0.216900 0.313017 0.069998 O\n0.746565 0.572086 0.529040 O\n0.267377 0.863752 0.583123 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "C-Li-Mn-O-P",
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"formula_full": "Li2 Mn2 P2 C2 O14",
"formula_reduced": "LiMnPCO7",
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},
{
"id": "mp-774954",
"created_at": "2022-09-04T14:46:10.643533Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n6.652203 7.317277 0.000000\n-6.652203 7.317277 0.000000\n0.000000 0.681028 9.783155\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.986356 0.512723 0.250277 Li\n0.016250 0.258055 0.383954 Li\n0.773264 0.567006 0.460831 Li\n0.777494 0.734346 0.176547 Li\n0.741945 0.983750 0.616046 Li\n0.621385 0.746982 0.822638 Li\n0.487277 0.013644 0.749723 Li\n0.432994 0.226736 0.539169 Li\n0.320106 0.913309 0.982467 Li\n0.265654 0.222506 0.823453 Li\n0.253018 0.378615 0.177362 Li\n0.086691 0.679894 0.017533 Li\n0.530326 0.469674 0.000000 Mn\n0.262796 0.974316 0.276939 Mn\n0.243241 0.756759 0.500000 Mn\n0.025684 0.737204 0.723061 Mn\n0.970074 0.248871 0.783162 V\n0.754151 0.245849 0.000000 V\n0.751129 0.029926 0.216838 V\n0.465818 0.534182 0.500000 V\n0.945099 0.815642 0.408138 P\n0.825560 0.944192 0.900926 P\n0.839615 0.548436 0.932949 P\n0.681579 0.340319 0.302304 P\n0.659681 0.318421 0.697696 P\n0.555867 0.841383 0.421884 P\n0.451564 0.160385 0.067051 P\n0.348397 0.684008 0.798008 P\n0.315992 0.651603 0.201992 P\n0.158617 0.444133 0.578116 P\n0.184358 0.054901 0.591862 P\n0.055808 0.174440 0.099074 P\n0.964609 0.866977 0.862619 O\n0.909083 0.824102 0.563554 O\n0.888390 0.608986 0.794691 O\n0.886496 0.950891 0.336630 O\n0.892862 0.691142 0.346490 O\n0.874796 0.387881 0.928928 O\n0.905329 0.599229 0.057496 O\n0.897705 0.160149 0.125968 O\n0.839851 0.102295 0.874032 O\n0.817211 0.311514 0.671239 O\n0.796296 0.909623 0.056120 O\n0.805664 0.402117 0.351322 O\n0.710279 0.911614 0.813579 O\n0.681308 0.586942 0.943609 O\n0.688486 0.182789 0.328761 O\n0.676427 0.372121 0.140896 O\n0.632409 0.881406 0.285553 O\n0.592845 0.910657 0.547039 O\n0.627879 0.323573 0.859104 O\n0.602504 0.455716 0.632173 O\n0.586577 0.681504 0.440521 O\n0.597883 0.194336 0.648678 O\n0.612119 0.125204 0.071072 O\n0.544284 0.397496 0.367827 O\n0.423380 0.804114 0.839987 O\n0.454224 0.593678 0.144943 O\n0.406322 0.545776 0.855057 O\n0.397234 0.877859 0.403652 O\n0.371675 0.675910 0.635128 O\n0.400771 0.094671 0.942504 O\n0.413058 0.318692 0.056391 O\n0.391014 0.111610 0.205309 O\n0.324090 0.628325 0.364872 O\n0.294426 0.805430 0.158073 O\n0.318496 0.413423 0.559479 O\n0.308858 0.107138 0.653510 O\n0.194570 0.705574 0.841927 O\n0.184207 0.896963 0.623084 O\n0.195886 0.576620 0.160013 O\n0.175898 0.090917 0.436446 O\n0.122141 0.602766 0.596348 O\n0.103037 0.815793 0.376916 O\n0.118594 0.367591 0.714447 O\n0.090377 0.203704 0.943880 O\n0.089343 0.407155 0.452961 O\n0.133023 0.035391 0.137381 O\n0.088386 0.289721 0.186421 O\n0.049109 0.113504 0.663370 O\n",
"nsites": 80,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.870635708925028,
"density_atomic": 0.08399744331906285,
"volume": 952.4099405754694,
"volume_molar": 7.16943340421089,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -593.1481448,
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"formation_energy": null,
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"energy_uncorrected": -546.7001448,
"band_gap": 0.0,
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"total_magnetization": 0.0015354,
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"updated_at": "2021-11-28T01:37:18.604000Z",
"spacegroup": 5
}
]
}