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{
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"results": [
{
"id": "mp-1208442",
"created_at": "2022-09-04T14:41:51.968388Z",
"structure_string": "Ta8 Cd4 O24\n1.0\n5.181614 0.000000 0.000000\n0.000000 6.002523 0.000000\n0.000000 0.000000 14.986240\nTa Cd O\n8 4 24\ndirect\n0.241877 0.826297 0.833820 Ta\n0.758123 0.173703 0.166180 Ta\n0.741877 0.673703 0.666180 Ta\n0.258123 0.826297 0.166180 Ta\n0.258123 0.326297 0.333820 Ta\n0.741877 0.173703 0.833820 Ta\n0.758123 0.673703 0.333820 Ta\n0.241877 0.326297 0.666180 Ta\n0.250000 0.817920 0.500000 Cd\n0.750000 0.182080 0.500000 Cd\n0.750000 0.682080 0.000000 Cd\n0.250000 0.317920 0.000000 Cd\n0.113601 0.624459 0.913288 O\n0.886399 0.375541 0.086712 O\n0.613601 0.875541 0.586712 O\n0.386399 0.624459 0.086712 O\n0.386399 0.124459 0.413288 O\n0.613601 0.375541 0.913288 O\n0.886399 0.875541 0.413288 O\n0.113601 0.124459 0.586712 O\n0.061354 0.591377 0.605409 O\n0.938646 0.408623 0.394591 O\n0.561354 0.908623 0.894591 O\n0.438646 0.591377 0.394591 O\n0.438646 0.091377 0.105409 O\n0.561354 0.408623 0.605409 O\n0.938646 0.908623 0.105409 O\n0.061354 0.091377 0.894591 O\n0.419449 0.632539 0.745529 O\n0.580551 0.367461 0.254471 O\n0.919449 0.867461 0.754471 O\n0.080551 0.632539 0.254471 O\n0.080551 0.132539 0.245529 O\n0.919449 0.367461 0.745529 O\n0.580551 0.867461 0.245529 O\n0.419449 0.132539 0.754471 O\n",
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"elements": [
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],
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"spacegroup": 60
},
{
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"created_at": "2022-09-04T14:42:41.884845Z",
"structure_string": "Li8 Be6 P6 Cl2 O24\n1.0\n8.114744 0.000000 0.000000\n0.000000 8.114744 0.000000\n0.000000 0.000000 8.114744\nLi Be P Cl O\n8 6 6 2 24\ndirect\n0.324795 0.324795 0.675205 Li\n0.675205 0.324795 0.324795 Li\n0.175205 0.824795 0.824795 Li\n0.824795 0.175205 0.824795 Li\n0.175205 0.175205 0.175205 Li\n0.824795 0.824795 0.175205 Li\n0.675205 0.675205 0.675205 Li\n0.324795 0.675205 0.324795 Li\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.250000 0.000000 Be\n0.000000 0.500000 0.750000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.000000 0.250000 P\n0.000000 0.250000 0.500000 P\n0.250000 0.500000 0.000000 P\n0.000000 0.750000 0.500000 P\n0.500000 0.000000 0.750000 P\n0.750000 0.500000 0.000000 P\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.364113 0.082576 0.644029 O\n0.635887 0.917424 0.644029 O\n0.082576 0.644029 0.364113 O\n0.364113 0.917424 0.355971 O\n0.635887 0.082576 0.355971 O\n0.644029 0.364113 0.082576 O\n0.417424 0.864113 0.855971 O\n0.917424 0.355971 0.364113 O\n0.855971 0.582576 0.135887 O\n0.644029 0.635887 0.917424 O\n0.135887 0.855971 0.582576 O\n0.582576 0.135887 0.855971 O\n0.917424 0.644029 0.635887 O\n0.135887 0.144029 0.417424 O\n0.355971 0.635887 0.082576 O\n0.144029 0.582576 0.864113 O\n0.082576 0.355971 0.635887 O\n0.855971 0.417424 0.864113 O\n0.864113 0.144029 0.582576 O\n0.144029 0.417424 0.135887 O\n0.582576 0.864113 0.144029 O\n0.355971 0.364113 0.917424 O\n0.864113 0.855971 0.417424 O\n0.417424 0.135887 0.144029 O\n",
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],
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"density": 2.3317392586002827,
"density_atomic": 0.08608616502996089,
"volume": 534.3483471936571,
"volume_molar": 6.9954803514642485,
"formula_full": "Li8 Be6 P6 Cl2 O24",
"formula_reduced": "Li4Be3P3ClO12",
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"updated_at": "2021-11-28T01:36:05.220000Z",
"spacegroup": 218
},
{
"id": "mp-765647",
"created_at": "2022-09-04T14:45:08.965140Z",
"structure_string": "Al8 V8 O24\n1.0\n2.939904 12.882480 0.000000\n-2.939904 12.882480 0.000000\n0.000000 1.316002 5.686928\nAl V O\n8 8 24\ndirect\n0.003775 0.003775 0.991937 Al\n0.539642 0.539642 0.699189 Al\n0.539490 0.539490 0.217839 Al\n0.661400 0.661400 0.341735 Al\n0.207789 0.207789 0.539440 Al\n0.753911 0.753911 0.744003 Al\n0.877783 0.877783 0.865408 Al\n0.415023 0.415023 0.074623 Al\n0.881300 0.369395 0.873276 V\n0.369395 0.881300 0.873276 V\n0.207461 0.207461 0.041123 V\n0.534322 0.047095 0.205838 V\n0.047095 0.534322 0.205838 V\n0.877773 0.877773 0.374625 V\n0.709175 0.209299 0.538704 V\n0.209299 0.709175 0.538704 V\n0.741831 0.329239 0.461952 O\n0.329239 0.741831 0.461952 O\n0.771878 0.311942 0.955205 O\n0.311942 0.771878 0.955205 O\n0.619144 0.619144 0.127413 O\n0.618793 0.618793 0.636834 O\n0.129783 0.129783 0.094187 O\n0.135959 0.135959 0.643105 O\n0.458616 0.963573 0.781550 O\n0.963573 0.458616 0.781550 O\n0.958107 0.451002 0.300953 O\n0.451002 0.958107 0.300953 O\n0.284819 0.284819 0.988171 O\n0.279947 0.279947 0.438180 O\n0.794702 0.794702 0.447025 O\n0.796941 0.796941 0.954697 O\n0.114119 0.635666 0.107828 O\n0.635666 0.114119 0.107828 O\n0.668442 0.095871 0.628962 O\n0.095871 0.668442 0.628962 O\n0.957958 0.957958 0.799562 O\n0.960419 0.960419 0.285651 O\n0.460829 0.460829 0.789724 O\n0.459668 0.459668 0.276594 O\n",
"nsites": 40,
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"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 3.8832711814553615,
"density_atomic": 0.0928580672016089,
"volume": 430.7649427287126,
"volume_molar": 6.485317798964115,
"formula_full": "Al8 V8 O24",
"formula_reduced": "AlVO3",
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"energy": -337.0595895,
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"updated_at": "2021-11-28T01:36:51.751000Z",
"spacegroup": 8
},
{
"id": "mp-1157256",
"created_at": "2022-09-04T14:40:35.133406Z",
"structure_string": "Ca4 Cr4 Si8 O24\n1.0\n5.190842 0.035347 1.108293\n1.312781 6.750943 0.553381\n-5.181714 -0.180211 12.692501\nCa Cr Si O\n4 4 8 24\ndirect\n0.100648 0.298700 0.350640 Ca\n0.600649 0.298716 0.850639 Ca\n0.399346 0.701309 0.149357 Ca\n0.899352 0.701289 0.649358 Ca\n0.202231 0.095577 0.952240 Cr\n0.297852 0.904245 0.547858 Cr\n0.702272 0.095496 0.452320 Cr\n0.797711 0.904531 0.047675 Cr\n0.458644 0.194328 0.188641 Si\n0.958649 0.194342 0.688646 Si\n0.632818 0.622720 0.402821 Si\n0.132820 0.622724 0.902821 Si\n0.867174 0.377291 0.097171 Si\n0.367175 0.377270 0.597169 Si\n0.041347 0.805693 0.311357 Si\n0.541346 0.805667 0.811352 Si\n0.688208 0.326460 0.181471 O\n0.188214 0.326456 0.681478 O\n0.330051 0.637031 0.336784 O\n0.830042 0.637038 0.836776 O\n0.811786 0.673551 0.318522 O\n0.311782 0.673558 0.818515 O\n0.169941 0.362980 0.163209 O\n0.669950 0.362976 0.663217 O\n0.473927 0.123678 0.300793 O\n0.973940 0.123673 0.800795 O\n0.764987 0.398377 0.438175 O\n0.265004 0.398390 0.938167 O\n0.026067 0.876333 0.199199 O\n0.526070 0.876339 0.699206 O\n0.735005 0.601635 0.061818 O\n0.234985 0.601610 0.561828 O\n0.871460 0.212199 0.011284 O\n0.371432 0.212199 0.511302 O\n0.033710 0.977427 0.393913 O\n0.533713 0.977446 0.893872 O\n0.466290 0.022585 0.106083 O\n0.966293 0.022556 0.606124 O\n0.628547 0.787800 0.488715 O\n0.128560 0.787807 0.988691 O\n",
"nsites": 40,
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"elements": [
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"O"
],
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"formula_full": "Ca4 Cr4 Si8 O24",
"formula_reduced": "CaCr(SiO3)2",
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"energy": -331.46063291,
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{
"id": "mp-1042041",
"created_at": "2022-09-04T14:39:38.397149Z",
"structure_string": "Mn4 Zn4 P8 O28\n1.0\n5.611303 -0.108994 0.315797\n-1.447185 12.299980 1.470748\n0.130526 0.024377 7.464982\nMn Zn P O\n4 4 8 28\ndirect\n0.842094 0.577843 0.194412 Mn\n0.158011 0.422141 0.805405 Mn\n0.341779 0.077869 0.194805 Mn\n0.657871 0.922213 0.805661 Mn\n0.657308 0.326207 0.653351 Zn\n0.157383 0.826191 0.653331 Zn\n0.842544 0.173795 0.346630 Zn\n0.342694 0.673751 0.346648 Zn\n0.539213 0.341700 0.089054 P\n0.039265 0.841720 0.089064 P\n0.960836 0.158319 0.910954 P\n0.460823 0.658316 0.910894 P\n0.319043 0.099040 0.615174 P\n0.819058 0.599022 0.615070 P\n0.180919 0.400958 0.384873 P\n0.680950 0.900934 0.384881 P\n0.452156 0.342693 0.897555 O\n0.952285 0.842703 0.897552 O\n0.047769 0.157316 0.102491 O\n0.547816 0.657303 0.102401 O\n0.745524 0.430247 0.101969 O\n0.245461 0.930317 0.102032 O\n0.754630 0.069762 0.897960 O\n0.254533 0.569770 0.897961 O\n0.584055 0.227232 0.168673 O\n0.084243 0.727269 0.168668 O\n0.915876 0.272763 0.831314 O\n0.415961 0.772772 0.831282 O\n0.940103 0.323841 0.426337 O\n0.440094 0.823829 0.426346 O\n0.559899 0.176150 0.573640 O\n0.059912 0.676124 0.573623 O\n0.156032 0.108785 0.459204 O\n0.656150 0.608773 0.459045 O\n0.343825 0.391207 0.540905 O\n0.843894 0.891180 0.540879 O\n0.200061 0.135702 0.794947 O\n0.700005 0.635669 0.794842 O\n0.300028 0.364317 0.205127 O\n0.799945 0.864285 0.205081 O\n0.641243 0.020082 0.330777 O\n0.141196 0.520102 0.330739 O\n0.858741 0.479876 0.669198 O\n0.358777 0.979905 0.669242 O\n",
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{
"id": "mp-755844",
"created_at": "2022-09-04T14:42:26.115128Z",
"structure_string": "Ni4 Te4 P8 O32\n1.0\n-0.243504 0.007043 4.790592\n9.851931 -0.007237 -0.513027\n-0.008601 13.073821 0.019347\nNi Te P O\n4 4 8 32\ndirect\n0.930526 0.266215 0.625437 Ni\n0.069822 0.733728 0.873649 Ni\n0.930847 0.266074 0.124918 Ni\n0.069489 0.733889 0.374318 Ni\n0.426898 0.201485 0.375284 Te\n0.427234 0.201227 0.875323 Te\n0.573141 0.798509 0.124419 Te\n0.572654 0.798816 0.624363 Te\n0.343945 0.090364 0.124841 P\n0.343406 0.090478 0.624799 P\n0.656142 0.909644 0.375216 P\n0.656541 0.909518 0.875238 P\n0.892919 0.402375 0.375034 P\n0.893496 0.402193 0.874909 P\n0.107071 0.597623 0.125216 P\n0.106377 0.597820 0.625277 P\n0.760930 0.064210 0.375565 O\n0.761263 0.064114 0.875777 O\n0.239124 0.935797 0.124337 O\n0.238629 0.935884 0.624121 O\n0.664152 0.101124 0.124846 O\n0.663631 0.101238 0.624873 O\n0.335922 0.898905 0.375111 O\n0.336301 0.898799 0.875026 O\n0.204652 0.375272 0.375255 O\n0.205251 0.375187 0.875245 O\n0.795329 0.624696 0.124577 O\n0.794647 0.624823 0.624542 O\n0.136338 0.447863 0.124905 O\n0.135969 0.448055 0.625019 O\n0.863706 0.552150 0.375316 O\n0.864072 0.551977 0.875145 O\n0.219865 0.166344 0.032670 O\n0.219186 0.166544 0.532768 O\n0.217821 0.166255 0.216701 O\n0.217326 0.166069 0.716828 O\n0.782663 0.833664 0.283572 O\n0.782976 0.833825 0.783407 O\n0.779713 0.833767 0.467612 O\n0.780253 0.833506 0.967470 O\n0.722709 0.322991 0.466526 O\n0.723332 0.322853 0.966432 O\n0.724410 0.323045 0.283449 O\n0.725052 0.322777 0.783356 O\n0.277918 0.676966 0.033770 O\n0.277190 0.677121 0.533800 O\n0.274945 0.676977 0.216851 O\n0.274218 0.677244 0.716888 O\n",
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"formula_full": "Ni4 Te4 P8 O32",
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{
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