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{
"id": "mp-1097307",
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{
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"elements": [
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"formula_full": "Li8 Fe8 F24",
"formula_reduced": "LiFeF3",
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"spacegroup": 60
},
{
"id": "mp-1225619",
"created_at": "2022-09-04T14:45:58.151507Z",
"structure_string": "Dy2 Fe2 Cu2\n1.0\n-2.531731 2.553198 3.780539\n2.531731 -2.553198 3.780539\n2.531731 2.553198 -3.780539\nDy Fe Cu\n2 2 2\ndirect\n0.371013 0.121013 0.250000 Dy\n0.628987 0.878987 0.750000 Dy\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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"density": 9.577331822219556,
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"energy": -34.68783355,
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"updated_at": "2021-11-28T01:37:09.842000Z",
"spacegroup": 74
},
{
"id": "mp-1208093",
"created_at": "2022-09-04T14:45:58.740782Z",
"structure_string": "V2 Cu3 O11\n1.0\n2.808476 5.414520 0.000000\n-2.808476 5.414520 0.000000\n0.000000 0.942623 7.293551\nV Cu O\n2 3 11\ndirect\n0.506422 0.506422 0.256432 V\n0.493578 0.493578 0.743568 V\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.674687 0.191141 0.184665 O\n0.325313 0.808859 0.815335 O\n0.808859 0.325313 0.815335 O\n0.191141 0.674687 0.184665 O\n0.667692 0.667692 0.142553 O\n0.332308 0.332308 0.857447 O\n0.823135 0.823135 0.529017 O\n0.176865 0.176865 0.470983 O\n0.500000 0.500000 0.500000 O\n0.153527 0.153527 0.102159 O\n0.846473 0.846473 0.897841 O\n",
"nsites": 16,
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"elements": [
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"Cu",
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"chemical_system": "Cu-O-V",
"density": 3.507295372222905,
"density_atomic": 0.07213072272945135,
"volume": 221.81948820910836,
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"formula_full": "V2 Cu3 O11",
"formula_reduced": "V2Cu3O11",
"formula_anonymous": "A2B3C11",
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"updated_at": "2021-11-28T01:37:09.115000Z",
"spacegroup": 12
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{
"id": "mp-1188853",
"created_at": "2022-09-04T14:45:57.700667Z",
"structure_string": "Ca4 Tc4 O12\n1.0\n5.441568 0.000000 0.000000\n0.000000 5.619864 0.000000\n0.000000 0.000000 7.777153\nCa Tc O\n4 4 12\ndirect\n0.011748 0.448124 0.250000 Ca\n0.488252 0.948124 0.250000 Ca\n0.988252 0.551876 0.750000 Ca\n0.511748 0.051876 0.750000 Ca\n0.500000 0.500000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.908309 0.030680 0.250000 O\n0.591691 0.530680 0.250000 O\n0.091691 0.969320 0.750000 O\n0.408309 0.469320 0.750000 O\n0.199544 0.703778 0.047859 O\n0.300456 0.203778 0.452141 O\n0.800456 0.296222 0.547859 O\n0.699544 0.796222 0.952141 O\n0.800456 0.296222 0.952141 O\n0.699544 0.796222 0.547859 O\n0.199544 0.703778 0.452141 O\n0.300456 0.203778 0.047859 O\n",
"nsites": 20,
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"elements": [
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"density": 5.19672107944986,
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"volume": 237.83212124764265,
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"formula_full": "Ca4 Tc4 O12",
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"updated_at": "2021-11-28T01:37:12.298000Z",
"spacegroup": 62
},
{
"id": "mp-1028252",
"created_at": "2022-09-04T14:45:58.391100Z",
"structure_string": "Ce1 Mg14 Al1\n1.0\n6.433058 -0.000000 0.000000\n-3.216529 5.571191 -0.000000\n-0.000000 -0.000000 10.320681\nCe Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.161475 0.830737 0.125000 Mg\n0.180920 0.840460 0.625000 Mg\n0.669263 0.338525 0.125000 Mg\n0.659540 0.319080 0.625000 Mg\n0.669263 0.830737 0.125000 Mg\n0.659540 0.840460 0.625000 Mg\n0.332875 0.167125 0.365477 Mg\n0.332875 0.167125 0.884523 Mg\n0.332875 0.665752 0.365477 Mg\n0.332875 0.665752 0.884523 Mg\n0.834248 0.167125 0.365477 Mg\n0.834248 0.167125 0.884523 Mg\n0.833333 0.666667 0.386509 Mg\n0.833333 0.666667 0.863491 Mg\n0.166667 0.333333 0.125000 Al\n",
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"elements": [
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"density": 2.277707256899562,
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"volume": 369.8910895673256,
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"formula_full": "Ce1 Mg14 Al1",
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{
"id": "mp-1376270",
"created_at": "2022-09-04T14:45:57.861385Z",
"structure_string": "V4 Cr4 O12\n1.0\n5.106262 0.000000 0.000000\n-2.551889 4.868646 0.000000\n-0.002034 -2.676874 8.432422\nV Cr O\n4 4 12\ndirect\n0.148071 0.871356 0.575162 V\n0.351578 0.876478 0.174162 V\n0.850336 0.125503 0.427157 V\n0.851536 0.629164 0.923329 V\n0.150189 0.375747 0.074753 Cr\n0.347380 0.370432 0.674781 Cr\n0.652811 0.627293 0.324173 Cr\n0.648664 0.127466 0.826899 Cr\n0.052572 0.524362 0.722806 O\n0.053157 0.026854 0.223199 O\n0.447384 0.873273 0.375095 O\n0.554029 0.623904 0.124429 O\n0.251522 0.776676 0.973225 O\n0.253008 0.279191 0.472668 O\n0.748310 0.719316 0.526453 O\n0.751644 0.225447 0.026479 O\n0.444989 0.373723 0.874699 O\n0.551287 0.125159 0.627608 O\n0.945726 0.977001 0.776547 O\n0.945807 0.471653 0.276377 O\n",
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"elements": [
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"formula_full": "V4 Cr4 O12",
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{
"id": "mp-1311459",
"created_at": "2022-09-04T14:45:58.670980Z",
"structure_string": "Sr10 Mn10 O26\n1.0\n-7.766790 0.000037 -0.000027\n-3.883365 0.009681 8.752950\n-0.000042 8.738357 0.009516\nSr Mn O\n10 10 26\ndirect\n0.998878 0.501208 0.499465 Sr\n0.499918 0.501190 0.499464 Sr\n0.191994 0.115719 0.282193 Sr\n0.692282 0.115722 0.282188 Sr\n0.108413 0.282437 0.885735 Sr\n0.609126 0.282442 0.885744 Sr\n0.890674 0.717505 0.114226 Sr\n0.391844 0.717489 0.114223 Sr\n0.807832 0.884730 0.717977 Sr\n0.307448 0.884723 0.717969 Sr\n0.499784 0.000356 0.999875 Mn\n0.000139 0.999779 0.000009 Mn\n0.299694 0.400625 0.195578 Mn\n0.700247 0.599505 0.804785 Mn\n0.097932 0.804178 0.399088 Mn\n0.799708 0.400604 0.194438 Mn\n0.200174 0.599610 0.805590 Mn\n0.402380 0.195210 0.600303 Mn\n0.902378 0.195216 0.600135 Mn\n0.597534 0.804969 0.399037 Mn\n0.250268 0.999546 0.000441 O\n0.750185 0.999562 0.000447 O\n0.298853 0.402305 0.713896 O\n0.798704 0.402621 0.716988 O\n0.140364 0.719249 0.597043 O\n0.640654 0.718674 0.596825 O\n0.200429 0.599101 0.285132 O\n0.701215 0.597548 0.285570 O\n0.358152 0.283709 0.403687 O\n0.856415 0.287137 0.403266 O\n0.464013 0.071995 0.788637 O\n0.964201 0.071634 0.789809 O\n0.393738 0.212517 0.070027 O\n0.894443 0.211124 0.071988 O\n0.034314 0.931351 0.214516 O\n0.535581 0.928845 0.212435 O\n0.105419 0.789143 0.930092 O\n0.607040 0.785958 0.930095 O\n0.955414 0.588483 0.833801 O\n0.456099 0.588496 0.833789 O\n0.043356 0.412480 0.166291 O\n0.544165 0.412482 0.166290 O\n0.834307 0.831474 0.408854 O\n0.334231 0.831470 0.408848 O\n0.171169 0.159938 0.586595 O\n0.668891 0.159943 0.586617 O\n",
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"formula_full": "Sr10 Mn10 O26",
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{
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{
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.865736 0.000000 0.000000\n0.000000 8.687069 0.000000\n0.000000 4.227036 8.760965\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.828985 0.833299 Li\n0.500000 0.505085 0.505644 Li\n0.500000 0.167297 0.158387 Li\n0.000000 0.471278 0.993484 Li\n0.000000 0.194243 0.668900 Li\n0.000000 0.832337 0.335176 Li\n0.500000 0.337328 0.834195 Li\n0.000000 0.021807 0.993768 Mn\n0.000000 0.332431 0.334007 Mn\n0.500000 0.675834 0.160848 Mn\n0.500000 0.986474 0.507483 Mn\n0.000000 0.646601 0.671488 Co\n0.500000 0.079208 0.845149 O\n0.500000 0.729039 0.523813 O\n0.500000 0.405150 0.179214 O\n0.000000 0.768603 0.008256 O\n0.000000 0.441718 0.667125 O\n0.000000 0.063862 0.356373 O\n0.500000 0.590330 0.816438 O\n0.500000 0.260316 0.488974 O\n0.500000 0.936312 0.145915 O\n0.000000 0.229826 0.999891 O\n0.000000 0.894685 0.659800 O\n0.000000 0.601251 0.312373 O\n",
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{
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}