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{
"id": "mp-1444407",
"created_at": "2022-09-04T14:39:26.336842Z",
"structure_string": "Ca2 Mn4 O10\n1.0\n3.690999 0.000000 0.000000\n0.000000 4.680960 0.000000\n0.000000 0.000000 11.505172\nCa Mn O\n2 4 10\ndirect\n0.500000 0.095286 0.000000 Ca\n0.000000 0.904714 0.500000 Ca\n0.000000 0.572533 0.846302 Mn\n0.500000 0.427467 0.653698 Mn\n0.500000 0.427467 0.346302 Mn\n0.000000 0.572533 0.153698 Mn\n0.500000 0.555592 0.500000 O\n0.000000 0.444408 0.000000 O\n0.500000 0.474605 0.826028 O\n0.000000 0.525395 0.673972 O\n0.500000 0.474605 0.173972 O\n0.000000 0.525395 0.326028 O\n0.000000 0.938130 0.124871 O\n0.500000 0.061870 0.375129 O\n0.500000 0.061870 0.624871 O\n0.000000 0.938130 0.875129 O\n",
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{
"id": "mp-780480",
"created_at": "2022-09-04T14:39:40.552305Z",
"structure_string": "Li11 V6 O5 F19\n1.0\n5.130564 0.000000 0.000000\n-0.140323 5.458641 0.000000\n-0.019742 -2.531045 16.005658\nLi V O F\n11 6 5 19\ndirect\n0.491024 0.240420 0.558673 Li\n0.002495 0.398000 0.899297 Li\n0.514255 0.280234 0.795376 Li\n0.988242 0.090965 0.228778 Li\n0.490499 0.118162 0.109663 Li\n0.001290 0.249178 0.431447 Li\n0.002214 0.715709 0.556325 Li\n0.501603 0.856566 0.886422 Li\n0.010605 0.580201 0.100522 Li\n0.501052 0.549439 0.221974 Li\n0.491968 0.795614 0.441805 Li\n0.987383 0.351317 0.666407 V\n0.498784 0.168218 0.334843 V\n0.518271 0.817353 0.664092 V\n0.504415 0.491122 0.001971 V\n0.004554 0.992085 0.001032 V\n0.000375 0.666930 0.333485 V\n0.805748 0.352911 0.306607 O\n0.694494 0.517259 0.629545 O\n0.809244 0.677579 0.972165 O\n0.203020 0.305268 0.035179 O\n0.199658 0.976531 0.365929 O\n0.824685 0.008935 0.621553 F\n0.689148 0.165065 0.953536 F\n0.326543 0.176181 0.689492 F\n0.644217 0.150551 0.450797 F\n0.872495 0.358959 0.781684 F\n0.351605 0.190022 0.220472 F\n0.851565 0.005468 0.118069 F\n0.137064 0.346990 0.548882 F\n0.364810 0.501471 0.884236 F\n0.310832 0.492730 0.382592 F\n0.182422 0.670872 0.697669 F\n0.850342 0.682631 0.449488 F\n0.142759 0.655726 0.217466 F\n0.654508 0.474043 0.116600 F\n0.602931 0.918956 0.779948 F\n0.158954 0.994240 0.890951 F\n0.360137 0.847800 0.553389 F\n0.683309 0.839305 0.288319 F\n0.314591 0.815815 0.049588 F\n",
"nsites": 41,
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"elements": [
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"formula_full": "Li11 V6 O5 F19",
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"spacegroup": 1
},
{
"id": "mp-15931",
"created_at": "2022-09-04T14:48:18.485006Z",
"structure_string": "Nd4 Cr4 S12\n1.0\n3.790126 0.000000 0.000000\n0.000000 7.803701 0.000000\n0.000000 0.000000 13.040862\nNd Cr S\n4 4 12\ndirect\n0.250000 0.088999 0.827858 Nd\n0.750000 0.911001 0.172142 Nd\n0.250000 0.588999 0.672142 Nd\n0.750000 0.411001 0.327858 Nd\n0.250000 0.337235 0.051305 Cr\n0.750000 0.662765 0.948695 Cr\n0.250000 0.837235 0.448695 Cr\n0.750000 0.162765 0.551305 Cr\n0.250000 0.489761 0.893890 S\n0.750000 0.510239 0.106110 S\n0.250000 0.989761 0.606110 S\n0.750000 0.010239 0.393890 S\n0.250000 0.340705 0.494130 S\n0.750000 0.659295 0.505870 S\n0.250000 0.840705 0.005870 S\n0.750000 0.159295 0.994130 S\n0.750000 0.306360 0.712625 S\n0.250000 0.693640 0.287375 S\n0.750000 0.806360 0.787375 S\n0.250000 0.193640 0.212625 S\n",
"nsites": 20,
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"formula_full": "Nd4 Cr4 S12",
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"spacegroup": 62
},
{
"id": "mp-1409107",
"created_at": "2022-09-04T14:48:12.916154Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n1.493141 7.205326 0.000000\n-1.493141 7.205326 0.000000\n0.000000 6.073146 7.273614\nZn Cr O\n2 4 8\ndirect\n0.667845 0.667845 0.315808 Zn\n0.332155 0.332155 0.684192 Zn\n0.364025 0.364025 0.957575 Cr\n0.853863 0.853863 0.313296 Cr\n0.146137 0.146137 0.686704 Cr\n0.635975 0.635975 0.042425 Cr\n0.138315 0.138315 0.902968 O\n0.537301 0.537301 0.750185 O\n0.462699 0.462699 0.249815 O\n0.861685 0.861685 0.097032 O\n0.831017 0.831017 0.837528 O\n0.211506 0.211506 0.420618 O\n0.168983 0.168983 0.162472 O\n0.788494 0.788494 0.579382 O\n",
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"elements": [
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],
"chemical_system": "Cr-O-Zn",
"density": 4.952711270129654,
"density_atomic": 0.0894526754030717,
"volume": 156.50733683387693,
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"formula_full": "Zn2 Cr4 O8",
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"energy": -109.35411967,
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"updated_at": "2021-11-28T01:38:38.150000Z",
"spacegroup": 12
},
{
"id": "mp-781009",
"created_at": "2022-09-04T14:48:13.692097Z",
"structure_string": "Li12 Cr4 P8 O32\n1.0\n8.686576 0.000000 0.000000\n3.401634 8.039211 0.000000\n0.360595 0.290106 9.107169\nLi Cr P O\n12 4 8 32\ndirect\n0.134422 0.359058 0.206663 Li\n0.375324 0.130004 0.700886 Li\n0.844942 0.040677 0.550335 Li\n0.416377 0.567342 0.241646 Li\n0.894591 0.084595 0.236464 Li\n0.564611 0.435826 0.749328 Li\n0.109810 0.894106 0.770227 Li\n0.157059 0.966778 0.456708 Li\n0.963074 0.147152 0.963598 Li\n0.603469 0.871215 0.325938 Li\n0.863179 0.622472 0.776268 Li\n0.897242 0.733718 0.100903 Li\n0.513657 0.230708 0.087952 Cr\n0.233027 0.509856 0.588508 Cr\n0.769096 0.491846 0.407666 Cr\n0.489342 0.769213 0.911834 Cr\n0.287415 0.013564 0.074913 P\n0.014564 0.289739 0.571491 P\n0.571466 0.240988 0.430065 P\n0.237893 0.572547 0.928655 P\n0.759616 0.432466 0.071087 P\n0.431185 0.763121 0.570448 P\n0.990773 0.714946 0.422225 P\n0.715733 0.989864 0.918001 P\n0.112483 0.030862 0.126475 O\n0.021893 0.115000 0.614951 O\n0.324236 0.159087 0.135739 O\n0.164806 0.315080 0.634846 O\n0.628168 0.052948 0.448350 O\n0.048889 0.625765 0.940815 O\n0.707681 0.983192 0.092801 O\n0.985567 0.681326 0.592570 O\n0.160722 0.575619 0.373088 O\n0.562532 0.153529 0.877924 O\n0.334744 0.465445 0.062792 O\n0.465554 0.336275 0.563245 O\n0.472953 0.316694 0.289952 O\n0.316043 0.469478 0.791194 O\n0.736354 0.273648 0.424083 O\n0.274743 0.733218 0.916723 O\n0.735138 0.263656 0.075374 O\n0.268258 0.727063 0.577738 O\n0.674820 0.530876 0.208569 O\n0.533270 0.686871 0.708491 O\n0.540624 0.673736 0.436351 O\n0.662944 0.534950 0.936140 O\n0.430033 0.844341 0.123646 O\n0.846065 0.432421 0.621341 O\n0.011750 0.320208 0.399331 O\n0.309420 0.010669 0.901714 O\n0.946653 0.387638 0.060874 O\n0.372354 0.951145 0.550715 O\n0.845891 0.688990 0.343719 O\n0.690591 0.834176 0.867019 O\n0.981363 0.892122 0.386441 O\n0.879770 0.994795 0.856409 O\n",
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],
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"volume": 635.9829120520275,
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"formula_full": "Li12 Cr4 P8 O32",
"formula_reduced": "Li3Cr(PO4)2",
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{
"id": "mp-779239",
"created_at": "2022-09-04T14:48:18.447814Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n6.402352 5.829197 0.000000\n-6.402352 5.829197 0.000000\n0.000000 2.556609 5.787377\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.996639 0.004639 0.751102 Li\n0.712585 0.289277 0.250748 Li\n0.500216 0.499958 0.499588 Li\n0.499958 0.500216 0.999588 Li\n0.289277 0.712585 0.750748 Li\n0.004639 0.996639 0.251102 Li\n0.375309 0.056221 0.869262 Mn\n0.056221 0.375309 0.369262 Mn\n0.941706 0.623723 0.639587 V\n0.623723 0.941706 0.139587 V\n0.713130 0.285788 0.750683 P\n0.860914 0.665413 0.136639 P\n0.665413 0.860914 0.636639 P\n0.339341 0.133747 0.365423 P\n0.133747 0.339341 0.865423 P\n0.285788 0.713130 0.250683 P\n0.986721 0.661694 0.910110 O\n0.946192 0.613975 0.326803 O\n0.742052 0.174114 0.967270 O\n0.828010 0.263573 0.526281 O\n0.848832 0.841439 0.599038 O\n0.734169 0.461442 0.768030 O\n0.841439 0.848832 0.099038 O\n0.702122 0.545320 0.204607 O\n0.613975 0.946192 0.826803 O\n0.661694 0.986721 0.410110 O\n0.537814 0.257945 0.728895 O\n0.545320 0.702122 0.704607 O\n0.453739 0.296205 0.294657 O\n0.461442 0.734169 0.268030 O\n0.341605 0.011792 0.596753 O\n0.404737 0.046634 0.174118 O\n0.296205 0.453739 0.794657 O\n0.144536 0.156734 0.890404 O\n0.257945 0.537814 0.228895 O\n0.156734 0.144536 0.390404 O\n0.174114 0.742052 0.467270 O\n0.263573 0.828010 0.026281 O\n0.046634 0.404737 0.674118 O\n0.011792 0.341605 0.096753 O\n",
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"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
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{
"id": "mp-755093",
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"structure_string": "V8 O12 F4\n1.0\n-4.689383 0.000000 0.000000\n-0.019259 -6.054479 0.000000\n0.361318 2.985689 9.380759\nV O F\n8 12 4\ndirect\n0.552942 0.860331 0.228187 V\n0.500860 0.127070 0.742762 V\n0.454452 0.393656 0.276085 V\n0.463488 0.611674 0.753690 V\n0.982533 0.244850 0.499296 V\n0.013143 0.499248 0.994766 V\n0.057070 0.002566 0.002379 V\n0.989243 0.759973 0.506081 V\n0.185651 0.455228 0.401167 O\n0.201643 0.709455 0.904829 O\n0.195825 0.189010 0.898309 O\n0.313343 0.810430 0.656258 O\n0.304885 0.077352 0.154088 O\n0.316285 0.574736 0.151849 O\n0.284681 0.333023 0.648083 O\n0.684863 0.172691 0.343584 O\n0.689273 0.441507 0.847493 O\n0.692516 0.671633 0.345271 O\n0.813168 0.807315 0.097277 O\n0.799362 0.047757 0.598797 O\n0.197574 0.948925 0.397446 F\n0.710025 0.921260 0.854964 F\n0.783615 0.549458 0.602401 F\n0.813559 0.290852 0.094938 F\n",
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{
"id": "mp-757599",
"created_at": "2022-09-04T14:47:17.352448Z",
"structure_string": "Li6 Mn3 Cu1 P6 O24\n1.0\n8.426361 0.000000 0.000000\n3.918885 7.517505 0.000000\n4.166395 2.605529 7.309181\nLi Mn Cu P O\n6 3 1 6 24\ndirect\n0.022356 0.991133 0.988510 Li\n0.753024 0.149808 0.358413 Li\n0.483662 0.515392 0.486306 Li\n0.228472 0.843433 0.660604 Li\n0.660542 0.211980 0.854403 Li\n0.836307 0.676765 0.204515 Li\n0.142099 0.145452 0.136559 Mn\n0.359073 0.358839 0.355480 Mn\n0.648370 0.642845 0.649240 Mn\n0.855496 0.852943 0.839420 Cu\n0.058040 0.749135 0.449268 P\n0.447613 0.051085 0.745006 P\n0.750089 0.453250 0.050322 P\n0.253470 0.541370 0.967502 P\n0.537218 0.967537 0.249770 P\n0.952463 0.249855 0.539556 P\n0.127888 0.298895 0.491574 O\n0.311646 0.503377 0.125107 O\n0.054673 0.918137 0.266044 O\n0.516945 0.120643 0.312552 O\n0.246612 0.585647 0.423788 O\n0.051976 0.796743 0.599467 O\n0.254154 0.071541 0.891408 O\n0.453499 0.236390 0.570176 O\n0.591337 0.429823 0.244025 O\n0.197569 0.380430 0.994393 O\n0.091888 0.732904 0.951083 O\n0.365377 0.012301 0.202839 O\n0.604671 0.032490 0.802139 O\n0.905639 0.256910 0.081426 O\n0.804501 0.617384 0.023751 O\n0.412320 0.566244 0.775376 O\n0.560137 0.768832 0.399559 O\n0.723646 0.962303 0.085929 O\n0.952543 0.210240 0.388545 O\n0.761116 0.408962 0.582118 O\n0.492127 0.884530 0.688270 O\n0.949659 0.079519 0.724583 O\n0.696016 0.478627 0.897952 O\n0.885768 0.695310 0.494023 O\n",
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"formula_full": "Li6 Mn3 Cu1 P6 O24",
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{
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{
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}