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{
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{
"id": "mp-1228831",
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{
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"formula_full": "Li4 V6 O12",
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"spacegroup": 2
},
{
"id": "mp-540363",
"created_at": "2022-09-04T14:42:12.429804Z",
"structure_string": "V2 P4 O14\n1.0\n6.273022 0.000000 0.000000\n-0.554261 -6.368980 0.000000\n-2.771530 0.093122 -6.304068\nV P O\n2 4 14\ndirect\n0.092854 0.352816 0.203819 V\n0.907146 0.647184 0.796181 V\n0.336591 0.613592 0.646632 P\n0.663409 0.386408 0.353368 P\n0.237464 0.866378 0.245689 P\n0.762536 0.133622 0.754311 P\n0.402334 0.385582 0.208245 O\n0.560261 0.101870 0.810848 O\n0.439739 0.898130 0.189152 O\n0.906220 0.943743 0.775905 O\n0.300669 0.806678 0.492367 O\n0.203363 0.646562 0.786632 O\n0.059516 0.669469 0.120340 O\n0.597666 0.614418 0.791755 O\n0.699331 0.193322 0.507633 O\n0.237806 0.412918 0.511657 O\n0.093780 0.056257 0.224095 O\n0.940484 0.330531 0.879660 O\n0.796637 0.353438 0.213368 O\n0.762194 0.587082 0.488343 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.0794076622797136,
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"formula_full": "V2 P4 O14",
"formula_reduced": "VP2O7",
"formula_anonymous": "AB2C7",
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"updated_at": "2021-11-28T01:35:46.549000Z",
"spacegroup": 2
},
{
"id": "mp-1016144",
"created_at": "2022-09-04T14:39:34.434830Z",
"structure_string": "Mg1 Mn3 O6\n1.0\n1.477725 7.020389 0.000000\n-1.477725 7.020389 0.000000\n0.000000 0.487441 5.141983\nMg Mn O\n1 3 6\ndirect\n0.191202 0.191202 0.940337 Mg\n0.990371 0.990371 0.999322 Mn\n0.349285 0.349285 0.533342 Mn\n0.649975 0.649975 0.457463 Mn\n0.091415 0.091415 0.663256 O\n0.911676 0.911676 0.346346 O\n0.423653 0.423653 0.859437 O\n0.582450 0.582450 0.115468 O\n0.227642 0.227642 0.297749 O\n0.760645 0.760645 0.717837 O\n",
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"Mn",
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],
"chemical_system": "Mg-Mn-O",
"density": 4.43766535314218,
"density_atomic": 0.09373128479874886,
"volume": 106.68796465844969,
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"formula_full": "Mg1 Mn3 O6",
"formula_reduced": "MgMn3O6",
"formula_anonymous": "AB3C6",
"energy": -79.85580803,
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{
"id": "mp-1101308",
"created_at": "2022-09-04T14:46:25.977874Z",
"structure_string": "Tb2 Pr2 O8\n1.0\n5.556744 0.000000 0.000000\n0.000000 3.985964 0.000000\n0.000000 0.678095 7.958122\nTb Pr O\n2 2 8\ndirect\n0.250000 0.774566 0.628278 Tb\n0.750000 0.225434 0.371722 Tb\n0.750000 0.268001 0.876840 Pr\n0.250000 0.731999 0.123160 Pr\n0.008754 0.770011 0.863014 O\n0.491246 0.770011 0.863014 O\n0.493695 0.280445 0.607774 O\n0.006305 0.280445 0.607774 O\n0.506305 0.719555 0.392226 O\n0.993695 0.719555 0.392226 O\n0.991246 0.229989 0.136986 O\n0.508754 0.229989 0.136986 O\n",
"nsites": 12,
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"elements": [
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"density": 6.855102641259791,
"density_atomic": 0.0680795838132041,
"volume": 176.26429728074496,
"volume_molar": 8.845736743226094,
"formula_full": "Tb2 Pr2 O8",
"formula_reduced": "TbPrO4",
"formula_anonymous": "ABC4",
"energy": -95.82703035,
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"spacegroup": 11
},
{
"id": "mp-769938",
"created_at": "2022-09-04T14:44:04.250337Z",
"structure_string": "Tb4 Pr4 O16\n1.0\n5.551496 0.000000 0.000000\n0.000000 7.962455 0.000000\n0.000000 0.629009 7.970553\nTb Pr O\n4 4 16\ndirect\n0.747644 0.387722 0.626429 Tb\n0.752356 0.887722 0.626429 Tb\n0.247644 0.112278 0.373571 Tb\n0.252356 0.612278 0.373571 Tb\n0.248174 0.133971 0.875508 Pr\n0.251826 0.633971 0.875508 Pr\n0.748174 0.366029 0.124492 Pr\n0.751826 0.866029 0.124492 Pr\n0.989674 0.384249 0.864606 O\n0.510326 0.884249 0.864606 O\n0.505455 0.385291 0.862992 O\n0.994545 0.885291 0.862992 O\n0.500580 0.137112 0.611606 O\n0.988237 0.143137 0.604473 O\n0.999420 0.637112 0.611606 O\n0.511763 0.643137 0.604473 O\n0.488237 0.356863 0.395527 O\n0.000580 0.362888 0.388394 O\n0.011763 0.856863 0.395527 O\n0.499420 0.862888 0.388394 O\n0.005455 0.114709 0.137008 O\n0.494545 0.614709 0.137008 O\n0.489674 0.115751 0.135394 O\n0.010326 0.615751 0.135394 O\n",
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"formula_full": "Tb4 Pr4 O16",
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"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "mp-1206750",
"created_at": "2022-09-04T14:46:52.360323Z",
"structure_string": "Cr1 Pt1\n1.0\n2.669490 0.000000 0.000000\n0.000000 2.669490 0.000000\n0.000000 0.000000 3.856506\nCr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pt\n",
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"density": 14.929190435287646,
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"volume": 27.482143818036814,
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"formula_full": "Cr1 Pt1",
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"energy": -15.97120115,
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{
"id": "mp-1041428",
"created_at": "2022-09-04T14:43:24.906461Z",
"structure_string": "Zn2 Mo6 P6 O26\n1.0\n6.661906 0.000000 0.000000\n0.000000 7.744453 0.000000\n0.000000 1.775587 10.655200\nZn Mo P O\n2 6 6 26\ndirect\n0.750000 0.412592 0.149463 Zn\n0.250000 0.587408 0.850537 Zn\n0.250000 0.641704 0.209350 Mo\n0.750000 0.358296 0.790650 Mo\n0.250000 0.230513 0.442037 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.769487 0.557963 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.782212 0.496358 P\n0.750000 0.217788 0.503642 P\n0.250000 0.265269 0.766715 P\n0.750000 0.734731 0.233285 P\n0.750000 0.683068 0.886807 P\n0.250000 0.316932 0.113193 P\n0.750000 0.645412 0.749667 O\n0.565103 0.253176 0.416302 O\n0.250000 0.204931 0.641452 O\n0.550263 0.774264 0.908868 O\n0.750000 0.350728 0.598074 O\n0.750000 0.114665 0.898890 O\n0.250000 0.649272 0.401926 O\n0.050263 0.225736 0.091132 O\n0.250000 0.969439 0.418858 O\n0.750000 0.030561 0.581142 O\n0.071810 0.387893 0.790631 O\n0.250000 0.885335 0.101110 O\n0.571810 0.612107 0.209369 O\n0.750000 0.490943 0.964358 O\n0.750000 0.795069 0.358548 O\n0.449737 0.225736 0.091132 O\n0.934897 0.253176 0.416302 O\n0.434897 0.746824 0.583698 O\n0.428190 0.387893 0.790631 O\n0.250000 0.354588 0.250333 O\n0.750000 0.899605 0.126233 O\n0.250000 0.100395 0.873767 O\n0.928190 0.612107 0.209369 O\n0.949737 0.774264 0.908868 O\n0.065103 0.746824 0.583698 O\n0.250000 0.509057 0.035642 O\n",
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"formula_full": "Zn2 Mo6 P6 O26",
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{
"id": "mp-1274218",
"created_at": "2022-09-04T14:44:30.630466Z",
"structure_string": "Ca2 V8 Co6 O24\n1.0\n0.018959 -7.473078 0.013569\n-0.030042 0.013615 -7.450606\n7.451425 -0.019115 0.029447\nCa V Co O\n2 8 6 24\ndirect\n0.001441 0.001611 0.000381 Ca\n0.498836 0.498527 0.500092 Ca\n0.251868 0.250045 0.249160 V\n0.748418 0.749893 0.750705 V\n0.249561 0.748407 0.750307 V\n0.750810 0.251952 0.249614 V\n0.749912 0.249729 0.749697 V\n0.250430 0.750535 0.250448 V\n0.249724 0.248907 0.748380 V\n0.750569 0.750715 0.251605 V\n0.000371 0.499434 0.499658 Co\n0.499246 0.001352 0.499068 Co\n0.499745 0.498087 0.000727 Co\n0.499864 0.000268 0.000191 Co\n0.003451 0.499212 0.000745 Co\n0.999818 0.002377 0.499636 Co\n0.001066 0.300825 0.818145 O\n0.499049 0.803451 0.315800 O\n0.499062 0.197541 0.683945 O\n0.000099 0.697883 0.183026 O\n0.493685 0.798675 0.686543 O\n0.993017 0.297267 0.186773 O\n0.007682 0.700553 0.812629 O\n0.505220 0.203945 0.313999 O\n0.183200 0.004913 0.702698 O\n0.685547 0.506537 0.201648 O\n0.316542 0.495124 0.797413 O\n0.812744 0.993446 0.299023 O\n0.316162 0.499834 0.198190 O\n0.816274 0.003993 0.700826 O\n0.180996 0.000536 0.299800 O\n0.684271 0.495339 0.799020 O\n0.296530 0.184793 0.005602 O\n0.798066 0.686805 0.506946 O\n0.202926 0.314968 0.495332 O\n0.702890 0.812872 0.992085 O\n0.801656 0.317380 0.501113 O\n0.300420 0.816504 0.003587 O\n0.698056 0.181903 0.999970 O\n0.200776 0.683863 0.495473 O\n",
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{
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"formula_full": "Li6 V10 P12 O48",
"formula_reduced": "Li3V5(PO4)6",
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"updated_at": "2021-11-28T01:36:38.891000Z",
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},
{
"id": "mp-850220",
"created_at": "2022-09-04T14:40:35.770755Z",
"structure_string": "Si24 Bi4 O56\n1.0\n-3.795280 7.760324 9.934080\n3.795280 -7.760324 9.934080\n3.795280 7.760324 -9.934080\nSi Bi O\n24 4 56\ndirect\n0.528385 0.791895 0.023265 Si\n0.572141 0.400400 0.679628 Si\n0.629332 0.825756 0.455087 Si\n0.720772 0.892513 0.320372 Si\n0.768630 0.505120 0.976735 Si\n0.670662 0.238694 0.909356 Si\n0.779228 0.099600 0.171741 Si\n0.731370 0.708105 0.736490 Si\n0.870668 0.325756 0.196424 Si\n0.971615 0.994880 0.263510 Si\n0.927859 0.607487 0.828259 Si\n0.829338 0.738694 0.568032 Si\n0.170662 0.261306 0.431968 Si\n0.072141 0.392513 0.171741 Si\n0.028385 0.005120 0.736490 Si\n0.129332 0.674244 0.803576 Si\n0.268630 0.291895 0.263510 Si\n0.220772 0.900400 0.828259 Si\n0.329338 0.761306 0.090644 Si\n0.231370 0.494880 0.023265 Si\n0.279228 0.107487 0.679628 Si\n0.370668 0.174244 0.544913 Si\n0.427859 0.599600 0.320372 Si\n0.471615 0.208105 0.976735 Si\n0.538548 0.250000 0.288548 Bi\n0.961452 0.250000 0.711452 Bi\n0.038548 0.750000 0.288548 Bi\n0.461452 0.750000 0.711452 Bi\n0.562138 0.257028 0.461853 O\n0.510155 0.695582 0.335167 O\n0.501342 0.075688 0.969158 O\n0.539552 0.600500 0.804654 O\n0.643463 0.886872 0.191759 O\n0.568644 0.268717 0.972942 O\n0.704825 0.242972 0.305110 O\n0.639585 0.825012 0.335167 O\n0.695112 0.451704 0.808241 O\n0.724817 0.737620 0.462437 O\n0.606530 0.575688 0.574346 O\n0.795846 0.734898 0.195346 O\n0.704154 0.899500 0.939051 O\n0.636178 0.038413 0.674591 O\n0.704224 0.404298 0.972942 O\n0.856537 0.048296 0.243408 O\n0.775183 0.237620 0.012803 O\n0.863822 0.538413 0.402235 O\n0.795175 0.100285 0.538147 O\n0.804888 0.613128 0.756592 O\n0.860415 0.195582 0.185427 O\n0.795776 0.768717 0.700073 O\n0.001342 0.032184 0.425654 O\n0.960448 0.765102 0.060949 O\n0.937862 0.399715 0.694890 O\n0.893470 0.467816 0.969158 O\n0.989845 0.325012 0.185427 O\n0.068644 0.095702 0.299927 O\n0.931356 0.904298 0.700073 O\n0.010155 0.674988 0.814573 O\n0.106530 0.532184 0.030842 O\n0.062138 0.600285 0.305110 O\n0.039552 0.234898 0.939051 O\n0.998658 0.967816 0.574346 O\n0.204224 0.231283 0.299927 O\n0.139585 0.804418 0.814573 O\n0.195112 0.386872 0.243408 O\n0.204825 0.899715 0.461853 O\n0.136178 0.461587 0.597765 O\n0.224817 0.762380 0.987197 O\n0.143463 0.951704 0.756592 O\n0.295776 0.595702 0.027058 O\n0.363822 0.961587 0.325409 O\n0.295846 0.100500 0.060949 O\n0.204154 0.265102 0.804654 O\n0.393470 0.424312 0.425654 O\n0.275183 0.262380 0.537563 O\n0.304888 0.548296 0.191759 O\n0.360415 0.174988 0.664833 O\n0.295175 0.757028 0.694890 O\n0.431356 0.731283 0.027058 O\n0.356537 0.113128 0.808241 O\n0.460448 0.399500 0.195346 O\n0.498658 0.924312 0.030842 O\n0.489845 0.304418 0.664833 O\n0.437862 0.742972 0.538147 O\n",
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"volume": 1170.3380366093204,
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},
{
"id": "mp-849338",
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"structure_string": "Mn8 O14 F2\n1.0\n5.485048 0.000000 0.000000\n0.000000 4.961201 0.000000\n0.000000 4.934819 8.923388\nMn O F\n8 14 2\ndirect\n0.834207 0.249084 0.005203 Mn\n0.143816 0.727790 0.004618 Mn\n0.632093 0.518126 0.241886 Mn\n0.349065 0.998402 0.254541 Mn\n0.165793 0.249084 0.505203 Mn\n0.856184 0.727790 0.504618 Mn\n0.650935 0.998402 0.754541 Mn\n0.367907 0.518126 0.741886 Mn\n0.880436 0.807748 0.114219 O\n0.107513 0.294864 0.118616 O\n0.601246 0.290652 0.135349 O\n0.381175 0.792741 0.131994 O\n0.613040 0.713168 0.365781 O\n0.387806 0.219274 0.364641 O\n0.112233 0.687647 0.385592 O\n0.892487 0.294864 0.618616 O\n0.119564 0.807748 0.614219 O\n0.618825 0.792741 0.631994 O\n0.398754 0.290652 0.635349 O\n0.612194 0.219274 0.864641 O\n0.386960 0.713168 0.865781 O\n0.887767 0.687647 0.885592 O\n0.878691 0.200501 0.377559 F\n0.121309 0.200501 0.877559 F\n",
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]
}