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{
"id": "mp-755173",
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"structure_string": "Li8 Fe2 O6 F2\n1.0\n6.048749 1.650597 4.688737\n-0.669591 5.239389 0.047738\n-1.814067 1.857720 4.685940\nLi Fe O F\n8 2 6 2\ndirect\n0.078431 0.239382 0.971026 Li\n0.083097 0.743338 0.410735 Li\n0.285122 0.783595 0.890865 Li\n0.495750 0.253301 0.762414 Li\n0.499648 0.762291 0.263431 Li\n0.720847 0.215116 0.092467 Li\n0.918254 0.256262 0.598482 Li\n0.948138 0.739669 0.981418 Li\n0.262007 0.219155 0.332890 Fe\n0.711003 0.764985 0.695172 Fe\n0.121194 0.029031 0.704553 O\n0.103389 0.493165 0.200900 O\n0.302383 0.997940 0.122550 O\n0.508075 0.657183 0.660685 O\n0.693428 0.001937 0.884816 O\n0.889690 0.511239 0.797808 O\n0.500912 0.342532 0.330079 F\n0.878634 0.989879 0.299711 F\n",
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{
"id": "mp-1296375",
"created_at": "2022-09-04T14:40:25.448316Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n0.001619 -3.469252 4.939830\n6.179848 0.100976 0.074705\n0.176330 7.026864 5.003082\nLi V Sn O\n4 6 2 16\ndirect\n0.001926 0.245862 0.125391 Li\n0.501769 0.741227 0.619773 Li\n0.997599 0.757486 0.877138 Li\n0.497563 0.260241 0.379260 Li\n0.755688 0.251762 0.750442 V\n0.753738 0.750878 0.249271 V\n0.249682 0.246672 0.749854 V\n0.997876 0.501479 0.497077 V\n0.501703 0.997453 0.003660 V\n0.247051 0.748830 0.248491 V\n0.999932 0.996882 0.501093 Sn\n0.500744 0.500539 0.998523 Sn\n0.999715 0.529671 0.263841 O\n0.511317 0.035358 0.773763 O\n0.986277 0.459639 0.742064 O\n0.499211 0.978851 0.221700 O\n0.227977 0.742819 0.491307 O\n0.729443 0.241153 0.986260 O\n0.767698 0.749207 0.487679 O\n0.275556 0.241519 0.987280 O\n0.002218 0.976622 0.258310 O\n0.510424 0.470742 0.757703 O\n0.988391 0.024045 0.744034 O\n0.498746 0.527678 0.238859 O\n0.229838 0.249234 0.517232 O\n0.725129 0.760360 0.006677 O\n0.765704 0.251932 0.520211 O\n0.277085 0.761856 0.003106 O\n",
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"formula_full": "Li4 V6 Sn2 O16",
"formula_reduced": "Li2V3SnO8",
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"energy": -216.72549762,
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"spacegroup": 1
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{
"id": "mp-1175902",
"created_at": "2022-09-04T14:46:01.171221Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n6.568386 0.000000 0.000000\n2.098280 6.312524 0.000000\n3.211350 1.048644 6.954898\nLi Mn Co O\n9 2 5 16\ndirect\n0.067330 0.438849 0.809015 Li\n0.687251 0.807939 0.935598 Li\n0.313855 0.189572 0.061235 Li\n0.946424 0.561376 0.180052 Li\n0.191532 0.311303 0.437485 Li\n0.802416 0.688486 0.574612 Li\n0.438876 0.057436 0.687107 Li\n0.555658 0.939807 0.314378 Li\n0.376282 0.627183 0.873438 Li\n0.997944 0.997786 0.000968 Mn\n0.876504 0.124294 0.374227 Mn\n0.741158 0.263977 0.751520 Co\n0.134475 0.869138 0.630189 Co\n0.499635 0.500491 0.501343 Co\n0.256311 0.747300 0.246800 Co\n0.608555 0.384377 0.120812 Co\n0.078354 0.144352 0.739260 O\n0.725321 0.516018 0.846567 O\n0.315526 0.905357 0.989203 O\n0.954305 0.259550 0.105742 O\n0.196349 0.029255 0.349800 O\n0.842704 0.385486 0.464259 O\n0.452369 0.779937 0.589509 O\n0.587322 0.644722 0.226953 O\n0.025801 0.746525 0.911327 O\n0.674506 0.100238 0.024677 O\n0.294118 0.465792 0.159696 O\n0.911474 0.867147 0.272692 O\n0.164512 0.604546 0.519063 O\n0.802107 0.978806 0.636837 O\n0.426326 0.343574 0.763622 O\n0.554701 0.219380 0.402011 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.51184106,
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"spacegroup": 1
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{
"id": "mp-1176246",
"created_at": "2022-09-04T14:47:09.310132Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.064212 0.000000 0.000000\n-1.641809 4.850497 0.000000\n-0.436031 -0.408705 11.717528\nLi Mn Co O\n9 2 5 16\ndirect\n0.995696 0.497683 0.129057 Li\n0.489884 0.492466 0.258915 Li\n0.007272 0.513604 0.384574 Li\n0.489854 0.493561 0.506691 Li\n0.007078 0.501403 0.615343 Li\n0.511468 0.507555 0.742359 Li\n0.996288 0.496062 0.869036 Li\n0.500669 0.500192 0.996531 Li\n0.008756 0.001417 0.498736 Li\n0.994320 0.997335 0.999628 Mn\n0.999570 0.999231 0.254123 Mn\n0.494240 0.995161 0.126243 Co\n0.513698 0.009717 0.386718 Co\n0.503474 0.003986 0.623713 Co\n0.001537 0.999579 0.740568 Co\n0.495581 0.995412 0.867476 Co\n0.247902 0.778409 0.008617 O\n0.763075 0.780494 0.118431 O\n0.241876 0.777559 0.254129 O\n0.764074 0.776609 0.358916 O\n0.282029 0.770022 0.505829 O\n0.749842 0.777044 0.631395 O\n0.255137 0.753463 0.760205 O\n0.762791 0.766676 0.881145 O\n0.742693 0.217682 0.239423 O\n0.235574 0.234790 0.364612 O\n0.740539 0.255849 0.491440 O\n0.262699 0.223459 0.632496 O\n0.737265 0.228000 0.748109 O\n0.224035 0.216376 0.884382 O\n0.750551 0.220703 0.994444 O\n0.230531 0.218500 0.126711 O\n",
"nsites": 32,
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"elements": [
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.1687275,
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"spacegroup": 1
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{
"id": "mp-1044928",
"created_at": "2022-09-04T14:43:06.506383Z",
"structure_string": "La2 Mg2 Cr4 O12\n1.0\n5.317453 0.000000 0.000000\n0.000000 5.418510 0.000000\n0.000000 0.000000 7.749206\nLa Mg Cr O\n2 2 4 12\ndirect\n0.004357 0.712696 0.000000 La\n0.504357 0.287304 0.500000 La\n0.482987 0.197275 0.000000 Mg\n0.982987 0.802725 0.500000 Mg\n0.496420 0.753975 0.249883 Cr\n0.996420 0.246025 0.749883 Cr\n0.496420 0.753975 0.750117 Cr\n0.996420 0.246025 0.250117 Cr\n0.077421 0.196144 0.500000 O\n0.214920 0.976547 0.803581 O\n0.214920 0.976547 0.196419 O\n0.305858 0.441059 0.808367 O\n0.305858 0.441059 0.191633 O\n0.374741 0.726940 0.500000 O\n0.577421 0.803856 0.000000 O\n0.714920 0.023453 0.303581 O\n0.714920 0.023453 0.696419 O\n0.805858 0.558941 0.308367 O\n0.805858 0.558941 0.691633 O\n0.874741 0.273060 0.000000 O\n",
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],
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"volume": 223.27533271471205,
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"formula_full": "La2 Mg2 Cr4 O12",
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{
"id": "mp-1234451",
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"structure_string": "Mg1 V8 O16\n1.0\n5.202327 0.124752 -0.000776\n0.139064 5.898259 -0.000997\n-0.001666 -0.001876 10.381252\nMg V O\n1 8 16\ndirect\n0.154308 0.254021 0.250013 Mg\n0.489498 0.756217 0.479847 V\n0.489503 0.756213 0.019973 V\n0.512181 0.251869 0.502021 V\n0.512098 0.251847 0.998080 V\n0.998329 0.501768 0.504123 V\n0.004973 0.995638 0.996034 V\n0.005104 0.995608 0.503941 V\n0.998298 0.501838 0.995953 V\n0.843381 0.741974 0.403225 O\n0.843489 0.742171 0.096770 O\n0.168482 0.259585 0.591398 O\n0.168194 0.259490 0.908606 O\n0.181869 0.741196 0.589239 O\n0.181586 0.741269 0.910785 O\n0.847444 0.252170 0.397069 O\n0.847656 0.252366 0.103013 O\n0.654276 0.509794 0.583928 O\n0.643140 0.999790 0.914765 O\n0.335338 0.007643 0.388885 O\n0.325250 0.480146 0.108176 O\n0.325193 0.479899 0.391818 O\n0.335498 0.007790 0.111116 O\n0.643222 0.999871 0.585229 O\n0.654188 0.509830 0.915997 O\n",
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{
"id": "mp-1274518",
"created_at": "2022-09-04T14:45:23.068185Z",
"structure_string": "Li4 V6 O12\n1.0\n0.830946 -4.420617 2.554330\n0.831032 0.265343 -5.098342\n8.732973 4.279638 2.619887\nLi V O\n4 6 12\ndirect\n0.164101 0.826842 0.500265 Li\n0.673211 0.335926 0.999733 Li\n0.332350 0.674353 0.000020 Li\n0.825650 0.167557 0.499990 Li\n0.250443 0.249718 0.750003 V\n0.587617 0.912372 0.749932 V\n0.914636 0.585458 0.749945 V\n0.749906 0.750007 0.250016 V\n0.084951 0.414936 0.250039 V\n0.414850 0.085056 0.250060 V\n0.402621 0.402964 0.141782 O\n0.889078 0.875395 0.641337 O\n0.096943 0.097262 0.358271 O\n0.624719 0.611085 0.858608 O\n0.037656 0.699947 0.141773 O\n0.549986 0.206383 0.641852 O\n0.699345 0.037226 0.141249 O\n0.191065 0.545580 0.641119 O\n0.799966 0.462232 0.358271 O\n0.293664 0.950054 0.858130 O\n0.462699 0.800559 0.358800 O\n0.954543 0.309089 0.858805 O\n",
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"formula_full": "Li4 V6 O12",
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{
"id": "mp-1100596",
"created_at": "2022-09-04T14:46:40.518957Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.890302 0.000000 0.000000\n0.000000 5.887820 0.000000\n0.000000 0.116030 16.778976\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.756183 0.875780 Li\n0.500000 0.252969 0.628884 Li\n0.500000 0.749703 0.374090 Li\n0.000000 0.007119 0.758864 Li\n0.000000 0.495221 0.500295 Li\n0.000000 0.002462 0.249646 Li\n0.500000 0.249878 0.123522 Li\n0.000000 0.494563 0.990165 Li\n0.500000 0.243977 0.874728 Li\n0.000000 0.003970 0.994052 Mn\n0.500000 0.745690 0.626293 Mn\n0.000000 0.487662 0.764263 Co\n0.000000 0.006878 0.500454 Co\n0.000000 0.497001 0.247624 Co\n0.500000 0.249933 0.375351 Co\n0.500000 0.750793 0.124176 Co\n0.500000 0.774388 0.001204 O\n0.500000 0.267474 0.748025 O\n0.500000 0.761332 0.507170 O\n0.000000 0.000532 0.885728 O\n0.000000 0.528198 0.624245 O\n0.000000 0.026637 0.377481 O\n0.500000 0.267479 0.248117 O\n0.000000 0.518094 0.126071 O\n0.500000 0.733004 0.739833 O\n0.500000 0.241684 0.501027 O\n0.500000 0.736421 0.248676 O\n0.000000 0.969457 0.624455 O\n0.000000 0.472160 0.371525 O\n0.000000 0.982385 0.117191 O\n0.500000 0.221134 0.001111 O\n0.000000 0.505619 0.869956 O\n",
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{
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"structure_string": "V8 O6 F18\n1.0\n5.237340 0.000000 0.000000\n-2.567243 -4.738698 0.000000\n-2.369247 1.065237 -17.231187\nV O F\n8 6 18\ndirect\n0.751456 0.367806 0.124760 V\n0.747707 0.912968 0.621954 V\n0.513279 0.720024 0.248169 V\n0.512710 0.249226 0.747519 V\n0.249629 0.088636 0.379084 V\n0.244438 0.643935 0.882290 V\n0.989352 0.014382 0.001639 V\n0.998455 0.499413 0.500204 V\n0.790018 0.177279 0.564501 O\n0.849478 0.198805 0.040699 O\n0.170536 0.789184 0.955622 O\n0.655666 0.539755 0.208838 O\n0.655034 0.065007 0.708552 O\n0.207737 0.821650 0.435084 O\n0.328232 0.148044 0.084794 F\n0.776774 0.677968 0.059038 F\n0.721509 0.058421 0.190138 F\n0.332344 0.950005 0.287780 F\n0.323076 0.666540 0.586734 F\n0.335092 0.462986 0.792884 F\n0.173735 0.591106 0.165366 F\n0.168887 0.094905 0.664841 F\n0.180531 0.296817 0.459783 F\n0.284806 0.426473 0.315107 F\n0.712693 0.585095 0.688369 F\n0.825793 0.914150 0.336671 F\n0.819021 0.703266 0.540646 F\n0.827474 0.409191 0.837713 F\n0.674788 0.330916 0.412964 F\n0.271505 0.936196 0.810421 F\n0.232082 0.316401 0.937001 F\n0.676167 0.843448 0.910837 F\n",
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}