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{
"id": "mp-773157",
"created_at": "2022-09-04T14:40:42.162743Z",
"structure_string": "Li9 Cr12 Co7 O48\n1.0\n5.087778 0.000000 0.000000\n-0.017127 10.277461 0.000000\n-0.063405 -0.032841 17.275218\nLi Cr Co O\n9 12 7 48\ndirect\n0.244885 0.577906 0.029395 Li\n0.249043 0.252834 0.695462 Li\n0.259633 0.746313 0.199340 Li\n0.253885 0.421558 0.530601 Li\n0.404509 0.251299 0.249495 Li\n0.595910 0.747998 0.749718 Li\n0.745105 0.921584 0.471972 Li\n0.739087 0.255268 0.799471 Li\n0.753528 0.750162 0.302710 Li\n0.216664 0.249420 0.055296 Cr\n0.219852 0.974027 0.343596 Cr\n0.215918 0.527944 0.346433 Cr\n0.274405 0.471586 0.845616 Cr\n0.276926 0.027815 0.844445 Cr\n0.276184 0.749076 0.555092 Cr\n0.725970 0.249031 0.444983 Cr\n0.721938 0.972348 0.154409 Cr\n0.729772 0.525392 0.155910 Cr\n0.780024 0.473853 0.655932 Cr\n0.782869 0.027640 0.654159 Cr\n0.780604 0.752223 0.944157 Cr\n0.093871 0.749204 0.747332 Co\n0.247961 0.926787 0.025551 Co\n0.254468 0.068601 0.526399 Co\n0.743164 0.571912 0.475996 Co\n0.747480 0.431047 0.972472 Co\n0.747823 0.072798 0.971742 Co\n0.906553 0.250015 0.254047 Co\n0.051210 0.756662 0.001691 O\n0.049626 0.394463 0.630697 O\n0.060768 0.106349 0.626160 O\n0.101783 0.373253 0.791618 O\n0.102230 0.122675 0.790290 O\n0.105014 0.882239 0.532752 O\n0.083038 0.623815 0.533191 O\n0.088641 0.999236 0.925124 O\n0.090405 0.500747 0.924369 O\n0.144689 0.249438 0.149722 O\n0.146843 0.386095 0.297291 O\n0.144501 0.116724 0.294552 O\n0.334273 0.887323 0.798370 O\n0.330312 0.612365 0.798777 O\n0.337949 0.748574 0.650339 O\n0.400505 0.006970 0.422454 O\n0.404455 0.496156 0.422907 O\n0.402934 0.118244 0.033436 O\n0.405283 0.374797 0.033682 O\n0.403088 0.880084 0.289154 O\n0.391390 0.625036 0.292356 O\n0.443018 0.894829 0.127457 O\n0.454390 0.600429 0.131951 O\n0.452169 0.243517 0.499433 O\n0.550502 0.742154 0.499251 O\n0.558604 0.395635 0.873182 O\n0.556984 0.105382 0.871793 O\n0.595337 0.379825 0.709896 O\n0.610463 0.123734 0.709944 O\n0.588320 0.882926 0.965843 O\n0.603405 0.621217 0.965915 O\n0.593457 0.996808 0.576464 O\n0.599980 0.506366 0.575665 O\n0.666400 0.247799 0.347138 O\n0.672466 0.382457 0.205166 O\n0.667065 0.114166 0.201877 O\n0.850776 0.888099 0.701319 O\n0.849674 0.613461 0.704030 O\n0.854260 0.752831 0.851014 O\n0.903745 0.492044 0.075736 O\n0.907305 0.003931 0.074829 O\n0.895382 0.382500 0.466264 O\n0.917938 0.124895 0.467019 O\n0.899657 0.876164 0.207372 O\n0.909578 0.622697 0.209476 O\n0.951457 0.894430 0.368772 O\n0.939372 0.605099 0.375254 O\n0.941329 0.249719 0.997279 O\n",
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"elements": [
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],
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"formula_full": "Li9 Cr12 Co7 O48",
"formula_reduced": "Li9Cr12Co7O48",
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"spacegroup": 1
},
{
"id": "mp-1038206",
"created_at": "2022-09-04T14:40:42.174669Z",
"structure_string": "Na1 Mg30 Al1 O32\n1.0\n8.522744 0.000000 0.000000\n0.000000 8.522744 0.000000\n0.000000 0.000000 8.508486\nNa Mg Al O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249917 0.000000 0.252774 Mg\n0.249917 0.000000 0.747226 Mg\n0.750083 0.000000 0.252774 Mg\n0.750083 0.000000 0.747226 Mg\n0.249954 0.500000 0.251321 Mg\n0.249954 0.500000 0.748679 Mg\n0.750046 0.500000 0.251321 Mg\n0.750046 0.500000 0.748679 Mg\n0.000000 0.249917 0.252774 Mg\n0.000000 0.249917 0.747226 Mg\n0.500000 0.249954 0.251321 Mg\n0.500000 0.249954 0.748679 Mg\n0.000000 0.750083 0.252774 Mg\n0.000000 0.750083 0.747226 Mg\n0.500000 0.750046 0.251321 Mg\n0.500000 0.750046 0.748679 Mg\n0.250295 0.250295 0.000000 Mg\n0.248967 0.248967 0.500000 Mg\n0.749705 0.250295 0.000000 Mg\n0.751033 0.248967 0.500000 Mg\n0.250295 0.749705 0.000000 Mg\n0.248967 0.751033 0.500000 Mg\n0.749705 0.749705 0.000000 Mg\n0.751033 0.751033 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.238153 0.000000 O\n0.000000 0.261438 0.500000 O\n0.500000 0.248554 0.000000 O\n0.500000 0.251651 0.500000 O\n0.000000 0.761847 0.000000 O\n0.000000 0.738562 0.500000 O\n0.500000 0.751446 0.000000 O\n0.500000 0.748349 0.500000 O\n0.249680 0.249680 0.249195 O\n0.249680 0.249680 0.750805 O\n0.750320 0.249680 0.249195 O\n0.750320 0.249680 0.750805 O\n0.249680 0.750320 0.249195 O\n0.249680 0.750320 0.750805 O\n0.750320 0.750320 0.249195 O\n0.750320 0.750320 0.750805 O\n0.000000 0.000000 0.223326 O\n0.000000 0.000000 0.776674 O\n0.500000 0.000000 0.245396 O\n0.500000 0.000000 0.754604 O\n0.000000 0.500000 0.245396 O\n0.000000 0.500000 0.754604 O\n0.500000 0.500000 0.248495 O\n0.500000 0.500000 0.751505 O\n0.238153 0.000000 0.000000 O\n0.261438 0.000000 0.500000 O\n0.761847 0.000000 0.000000 O\n0.738562 0.000000 0.500000 O\n0.248554 0.500000 0.000000 O\n0.251651 0.500000 0.500000 O\n0.751446 0.500000 0.000000 O\n0.748349 0.500000 0.500000 O\n",
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"formula_full": "Na1 Mg30 Al1 O32",
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"updated_at": "2021-11-28T01:35:06.971000Z",
"spacegroup": 123
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{
"id": "mp-1221945",
"created_at": "2022-09-04T14:40:42.185077Z",
"structure_string": "Mn8 O17\n1.0\n5.834667 0.000000 0.000000\n1.473845 7.010148 0.000000\n1.447618 0.002809 7.031486\nMn O\n8 17\ndirect\n0.924727 0.484001 0.818026 Mn\n0.424139 0.485200 0.818116 Mn\n0.575861 0.514800 0.181884 Mn\n0.075273 0.515999 0.181974 Mn\n0.333263 0.182272 0.484539 Mn\n0.832962 0.182491 0.485300 Mn\n0.167038 0.817509 0.514700 Mn\n0.666737 0.817728 0.515461 Mn\n0.520839 0.293677 0.621712 O\n0.021717 0.293613 0.621635 O\n0.978283 0.706387 0.378365 O\n0.479161 0.706323 0.378288 O\n0.832151 0.378389 0.293559 O\n0.332541 0.377717 0.292286 O\n0.667459 0.622283 0.707714 O\n0.167849 0.621611 0.706441 O\n0.826799 0.640416 0.047229 O\n0.327710 0.640909 0.047771 O\n0.672290 0.359091 0.952229 O\n0.173201 0.359584 0.952771 O\n0.852656 0.951769 0.640085 O\n0.351832 0.952543 0.640082 O\n0.648168 0.047457 0.359918 O\n0.147344 0.048231 0.359915 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1183208",
"created_at": "2022-09-04T14:40:42.188042Z",
"structure_string": "Al1 Ga3\n1.0\n-2.019114 2.019114 4.451999\n2.019114 -2.019114 4.451999\n2.019114 2.019114 -4.451999\nAl Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n",
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{
"id": "mp-779605",
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"structure_string": "Cr8 O2 F22\n1.0\n-5.096946 -0.003328 0.002286\n-2.551491 -4.680621 -0.026261\n2.540616 -0.661025 16.682097\nCr O F\n8 2 22\ndirect\n0.743625 0.648282 0.129911 Cr\n0.748013 0.120284 0.624581 Cr\n0.496638 0.750295 0.750174 Cr\n0.503996 0.239227 0.247839 Cr\n0.243258 0.887636 0.378152 Cr\n0.247528 0.376546 0.875999 Cr\n0.007532 0.480417 0.496334 Cr\n0.996183 0.006923 0.001988 Cr\n0.745647 0.942622 0.188354 O\n0.242787 0.186276 0.437083 O\n0.818317 0.782046 0.034550 F\n0.757621 0.808763 0.559677 F\n0.755000 0.324207 0.065060 F\n0.683671 0.967778 0.718467 F\n0.680662 0.654342 0.407860 F\n0.677541 0.473006 0.217581 F\n0.812898 0.593888 0.842560 F\n0.809223 0.092963 0.343178 F\n0.810106 0.283031 0.532533 F\n0.311338 0.850552 0.094783 F\n0.743678 0.436969 0.686978 F\n0.263619 0.562578 0.313380 F\n0.682908 0.153252 0.908569 F\n0.184486 0.908197 0.656858 F\n0.180473 0.411394 0.158625 F\n0.183210 0.714048 0.467801 F\n0.312458 0.531699 0.782715 F\n0.310195 0.338974 0.592102 F\n0.312050 0.032069 0.282963 F\n0.246992 0.688760 0.939543 F\n0.246978 0.061560 0.813951 F\n0.180331 0.224049 0.969138 F\n",
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"spacegroup": 5
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{
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"structure_string": "Nb4 H4 O12\n1.0\n6.703689 0.000000 0.000000\n-2.213297 6.350078 0.000000\n-2.227453 -3.128031 5.540981\nNb H O\n4 4 12\ndirect\n0.532014 0.528858 0.541791 Nb\n0.507008 0.027805 0.027940 Nb\n0.036658 0.518754 0.030750 Nb\n0.987311 0.022647 0.515706 Nb\n0.052380 0.731519 0.680689 H\n0.687697 0.049222 0.740970 H\n0.303496 0.051354 0.356634 H\n0.742969 0.689010 0.047292 H\n0.091334 0.300897 0.793484 O\n0.712441 0.817303 0.522118 O\n0.511387 0.699909 0.805857 O\n0.204074 0.497579 0.290565 O\n0.292254 0.812599 0.098805 O\n0.794955 0.081151 0.284190 O\n0.174151 0.879570 0.698518 O\n0.700671 0.176478 0.879975 O\n0.811750 0.520984 0.707537 O\n0.501566 0.295917 0.202746 O\n0.293668 0.175273 0.476711 O\n0.878219 0.695172 0.173723 O\n",
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"formula_full": "Nb4 H4 O12",
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{
"id": "mp-1008226",
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"structure_string": "Cr1 Fe2 Sn1\n1.0\n0.000000 3.002795 3.002795\n3.002795 0.000000 3.002795\n3.002795 3.002795 0.000000\nCr Fe Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Cr1 Fe2 Sn1",
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{
"id": "mp-1100514",
"created_at": "2022-09-04T14:40:42.419699Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.290858 0.000000 0.000000\n-1.118602 7.584382 0.000000\n-2.105041 -0.995534 7.414923\nLi Mn O\n9 7 16\ndirect\n0.423578 0.810629 0.931169 Li\n0.812254 0.937314 0.313795 Li\n0.187746 0.062686 0.686205 Li\n0.576422 0.189371 0.068831 Li\n0.918728 0.320178 0.432633 Li\n0.314276 0.441806 0.799465 Li\n0.685724 0.558194 0.200535 Li\n0.081272 0.679822 0.567367 Li\n0.500000 0.500000 0.500000 Li\n0.865656 0.622605 0.868326 Mn\n0.381669 0.128661 0.375071 Mn\n0.256312 0.749713 0.254713 Mn\n0.618331 0.871339 0.624929 Mn\n0.000000 0.000000 0.000000 Mn\n0.743688 0.250287 0.745287 Mn\n0.134344 0.377395 0.131674 Mn\n0.028232 0.840439 0.796913 O\n0.403056 0.962283 0.168744 O\n0.786885 0.092747 0.552298 O\n0.109394 0.220658 0.903608 O\n0.522520 0.329881 0.281725 O\n0.909720 0.462289 0.672027 O\n0.285991 0.592656 0.054284 O\n0.607905 0.730758 0.399488 O\n0.890606 0.779342 0.096392 O\n0.213115 0.907253 0.447702 O\n0.596944 0.037717 0.831256 O\n0.971768 0.159561 0.203087 O\n0.392095 0.269242 0.600512 O\n0.714009 0.407344 0.945716 O\n0.090280 0.537711 0.327973 O\n0.477480 0.670119 0.718275 O\n",
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"formula_full": "Li9 Mn7 O16",
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{
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