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{
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"results": [
{
"id": "mp-774451",
"created_at": "2022-09-04T14:42:40.944828Z",
"structure_string": "Li4 Mn3 Fe2 Co3 O16\n1.0\n5.747322 -0.007308 -0.001802\n-2.879989 5.003847 0.001961\n-0.002702 0.002777 9.447513\nLi Mn Fe Co O\n4 3 2 3 16\ndirect\n0.334860 0.668045 0.892633 Li\n0.005094 0.000419 0.998158 Li\n0.009890 0.006181 0.496560 Li\n0.665245 0.329655 0.388355 Li\n0.660993 0.830026 0.215209 Mn\n0.830299 0.662094 0.714883 Mn\n0.830473 0.169364 0.715118 Mn\n0.326801 0.665182 0.490945 Fe\n0.662315 0.335057 0.993764 Fe\n0.168924 0.829540 0.214243 Co\n0.168647 0.336833 0.213115 Co\n0.339801 0.170443 0.714440 Co\n0.160017 0.836070 0.602031 O\n0.036447 0.513389 0.328560 O\n0.332610 0.665989 0.108763 O\n0.001437 0.000163 0.309138 O\n0.001116 0.000505 0.811070 O\n0.159725 0.324894 0.601852 O\n0.481175 0.962267 0.335550 O\n0.477318 0.512795 0.332981 O\n0.320097 0.165163 0.107507 O\n0.676980 0.838912 0.601762 O\n0.517569 0.482547 0.835292 O\n0.518823 0.036268 0.836591 O\n0.667760 0.334662 0.607210 O\n0.837149 0.677401 0.102505 O\n0.965723 0.482946 0.834878 O\n0.842712 0.163490 0.104726 O\n",
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"formula_full": "Li4 Mn3 Fe2 Co3 O16",
"formula_reduced": "Li4Mn3Fe2Co3O16",
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"updated_at": "2021-11-28T01:35:48.247000Z",
"spacegroup": 8
},
{
"id": "mp-776860",
"created_at": "2022-09-04T14:42:37.722705Z",
"structure_string": "Li4 Fe3 Co3 W2 O16\n1.0\n5.938327 0.000000 0.000000\n2.948927 5.156912 0.000000\n0.166063 0.080642 9.786493\nLi Fe Co W O\n4 3 3 2 16\ndirect\n0.663958 0.665798 0.089377 Li\n0.003359 0.000188 0.010957 Li\n0.002634 0.006169 0.514308 Li\n0.326874 0.324726 0.591834 Li\n0.824944 0.832987 0.780665 Fe\n0.657767 0.166135 0.284365 Fe\n0.166695 0.657718 0.285904 Fe\n0.822423 0.343383 0.787338 Co\n0.340285 0.827992 0.788630 Co\n0.170124 0.171130 0.286236 Co\n0.655612 0.659840 0.514995 W\n0.329175 0.336177 0.012581 W\n0.826258 0.346982 0.411864 O\n0.519353 0.506388 0.642205 O\n0.668287 0.657560 0.884868 O\n0.001348 0.011292 0.703246 O\n0.999461 0.998342 0.198923 O\n0.345850 0.822204 0.412565 O\n0.957024 0.515295 0.656512 O\n0.521568 0.956570 0.650649 O\n0.175012 0.178665 0.918945 O\n0.831183 0.826035 0.414612 O\n0.493009 0.039152 0.144541 O\n0.037622 0.494966 0.145576 O\n0.338085 0.336136 0.391498 O\n0.661998 0.177355 0.907495 O\n0.482549 0.481426 0.152815 O\n0.177842 0.659089 0.908654 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"O"
],
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"density_atomic": 0.0934280129568012,
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"volume_molar": 6.445754939457493,
"formula_full": "Li4 Fe3 Co3 W2 O16",
"formula_reduced": "Li4Fe3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.04079557,
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"updated_at": "2021-11-28T01:36:01.690000Z",
"spacegroup": 1
},
{
"id": "mp-782652",
"created_at": "2022-09-04T14:47:30.622618Z",
"structure_string": "Li4 Ti3 Cr3 Ni2 O16\n1.0\n2.937906 5.073649 0.000000\n-2.937906 5.073649 0.000000\n0.000000 0.004241 9.659463\nLi Ti Cr Ni O\n4 3 3 2 16\ndirect\n0.331243 0.331243 0.893089 Li\n0.006405 0.006405 0.996333 Li\n0.004686 0.004686 0.498283 Li\n0.664032 0.664032 0.395173 Li\n0.164748 0.658913 0.216791 Ti\n0.658913 0.164748 0.216791 Ti\n0.825409 0.825409 0.720834 Ti\n0.167121 0.167121 0.211099 Cr\n0.334155 0.827901 0.711414 Cr\n0.827901 0.334155 0.711414 Cr\n0.334286 0.334286 0.489768 Ni\n0.667330 0.667330 0.989280 Ni\n0.165710 0.682491 0.606103 O\n0.481497 0.481497 0.331121 O\n0.337341 0.337341 0.101913 O\n0.999572 0.999572 0.314003 O\n0.997868 0.997868 0.812592 O\n0.682491 0.165710 0.606103 O\n0.035294 0.477959 0.330644 O\n0.477959 0.035294 0.330644 O\n0.841549 0.841549 0.104522 O\n0.160844 0.160844 0.612582 O\n0.513740 0.964009 0.831186 O\n0.964009 0.513740 0.831186 O\n0.669047 0.669047 0.602022 O\n0.320377 0.847542 0.108284 O\n0.518962 0.518962 0.826337 O\n0.847542 0.320377 0.108284 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O-Ti",
"density": 4.040720624400394,
"density_atomic": 0.09723368322782268,
"volume": 287.966053228641,
"volume_molar": 6.193471809444745,
"formula_full": "Li4 Ti3 Cr3 Ni2 O16",
"formula_reduced": "Li4Ti3Cr3(NiO8)2",
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"energy": -219.67377102,
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"updated_at": "2021-11-28T01:38:08.638000Z",
"spacegroup": 8
},
{
"id": "mp-754017",
"created_at": "2022-09-04T14:47:26.134233Z",
"structure_string": "Li4 Fe2 Co3 Cu3 O16\n1.0\n2.877480 5.046448 0.000000\n-2.877480 5.046448 0.000000\n0.000000 0.300845 9.399038\nLi Fe Co Cu O\n4 2 3 3 16\ndirect\n0.667000 0.667000 0.892497 Li\n0.998725 0.998725 0.997501 Li\n0.000586 0.000586 0.494902 Li\n0.336451 0.336451 0.393867 Li\n0.665997 0.665997 0.492196 Fe\n0.330083 0.330083 0.992678 Fe\n0.830176 0.830176 0.212930 Co\n0.662134 0.168804 0.713290 Co\n0.168804 0.662134 0.713290 Co\n0.830324 0.338467 0.214376 Cu\n0.338467 0.830324 0.214376 Cu\n0.168570 0.168570 0.714448 Cu\n0.827641 0.322515 0.601669 O\n0.520579 0.520579 0.341879 O\n0.672886 0.672886 0.109404 O\n0.992805 0.992805 0.305701 O\n0.993917 0.993917 0.808676 O\n0.322515 0.827641 0.601669 O\n0.966440 0.530118 0.338743 O\n0.530118 0.966440 0.338743 O\n0.159857 0.159857 0.096283 O\n0.841043 0.841043 0.609467 O\n0.494232 0.038664 0.835534 O\n0.038664 0.494232 0.835534 O\n0.338902 0.338902 0.609296 O\n0.669258 0.151006 0.101324 O\n0.481219 0.481219 0.826391 O\n0.151006 0.669258 0.101324 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.640822301956165,
"density_atomic": 0.10257617819054811,
"volume": 272.9678614852124,
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"formula_full": "Li4 Fe2 Co3 Cu3 O16",
"formula_reduced": "Li4Fe2Co3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -175.74709561,
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"updated_at": "2021-11-28T01:38:11.264000Z",
"spacegroup": 8
},
{
"id": "mp-752651",
"created_at": "2022-09-04T14:48:15.976901Z",
"structure_string": "Li4 Ti2 Nb3 Cu3 O16\n1.0\n3.021980 5.355613 0.000000\n-3.021980 5.355613 0.000000\n0.000000 0.667561 9.856882\nLi Ti Nb Cu O\n4 2 3 3 16\ndirect\n0.667084 0.667084 0.912162 Li\n0.005269 0.005269 0.999865 Li\n0.025648 0.025648 0.478612 Li\n0.337456 0.337456 0.394872 Li\n0.636531 0.636531 0.472707 Ti\n0.324505 0.324505 0.008940 Ti\n0.823715 0.823715 0.228590 Nb\n0.659054 0.160261 0.717962 Nb\n0.160261 0.659054 0.717962 Nb\n0.829423 0.338045 0.204216 Cu\n0.338045 0.829423 0.204216 Cu\n0.171374 0.171374 0.706533 Cu\n0.811500 0.336736 0.587304 O\n0.521860 0.521860 0.347196 O\n0.671995 0.671995 0.112581 O\n0.997504 0.997504 0.292063 O\n0.998527 0.998527 0.809609 O\n0.336736 0.811500 0.587304 O\n0.967615 0.542157 0.359480 O\n0.542157 0.967615 0.359480 O\n0.165836 0.165836 0.086755 O\n0.844903 0.844903 0.609548 O\n0.501476 0.041701 0.848671 O\n0.041701 0.501476 0.848671 O\n0.346267 0.346267 0.602883 O\n0.643492 0.147096 0.090118 O\n0.484315 0.484315 0.829443 O\n0.147096 0.643492 0.090118 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.417814157040545,
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"formula_full": "Li4 Ti2 Nb3 Cu3 O16",
"formula_reduced": "Li4Ti2Nb3Cu3O16",
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"spacegroup": 8
},
{
"id": "mp-757478",
"created_at": "2022-09-04T14:48:12.496739Z",
"structure_string": "Li4 Mn3 Cr3 Fe2 O16\n1.0\n2.912755 5.061534 0.000000\n-2.912755 5.061534 0.000000\n0.000000 0.065967 9.542608\nLi Mn Cr Fe O\n4 3 3 2 16\ndirect\n0.668873 0.668873 0.892431 Li\n0.996862 0.996862 0.997819 Li\n0.998052 0.998052 0.496203 Li\n0.333721 0.333721 0.392052 Li\n0.829942 0.829942 0.215652 Mn\n0.169987 0.659545 0.715678 Mn\n0.659545 0.169987 0.715678 Mn\n0.340270 0.827787 0.213503 Cr\n0.827787 0.340270 0.213503 Cr\n0.169142 0.169142 0.715059 Cr\n0.664357 0.664357 0.492583 Fe\n0.332063 0.332063 0.994757 Fe\n0.323438 0.833038 0.602393 O\n0.517723 0.517723 0.332416 O\n0.671690 0.671690 0.105964 O\n0.995901 0.995901 0.309329 O\n0.996099 0.996099 0.810192 O\n0.833038 0.323438 0.602393 O\n0.519203 0.962515 0.332954 O\n0.962515 0.519203 0.332954 O\n0.159626 0.159626 0.103767 O\n0.836607 0.836607 0.605174 O\n0.038996 0.483344 0.832683 O\n0.483344 0.038996 0.832683 O\n0.337239 0.337239 0.609288 O\n0.161426 0.671459 0.103397 O\n0.481404 0.481404 0.833337 O\n0.671459 0.161426 0.103397 O\n",
"nsites": 28,
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],
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"density": 4.226964679819784,
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"volume": 281.37350106668316,
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"formula_full": "Li4 Mn3 Cr3 Fe2 O16",
"formula_reduced": "Li4Mn3Cr3(FeO8)2",
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},
{
"id": "mp-775754",
"created_at": "2022-09-04T14:48:13.873541Z",
"structure_string": "Li4 Nb3 V2 Co3 O16\n1.0\n3.044214 5.200819 0.000000\n-3.044214 5.200819 0.000000\n0.000000 0.021616 9.811276\nLi Nb V Co O\n4 3 2 3 16\ndirect\n0.333485 0.333485 0.100158 Li\n0.003966 0.003966 0.002142 Li\n0.975154 0.975154 0.516440 Li\n0.664546 0.664546 0.609314 Li\n0.186525 0.186525 0.767852 Nb\n0.838245 0.351014 0.287350 Nb\n0.351014 0.838245 0.287350 Nb\n0.353913 0.353913 0.514532 V\n0.680653 0.680653 0.995435 V\n0.654514 0.195790 0.790628 Co\n0.195790 0.654514 0.790628 Co\n0.814573 0.814573 0.282958 Co\n0.672699 0.188196 0.399747 O\n0.485800 0.485800 0.656634 O\n0.327237 0.327237 0.901896 O\n0.006890 0.006890 0.706366 O\n0.007628 0.007628 0.188044 O\n0.188196 0.672699 0.399747 O\n0.479544 0.033917 0.653506 O\n0.033917 0.479544 0.653506 O\n0.829595 0.829595 0.913059 O\n0.177961 0.177961 0.393282 O\n0.948236 0.515423 0.143172 O\n0.515423 0.948236 0.143172 O\n0.656331 0.656331 0.409614 O\n0.826737 0.368274 0.911875 O\n0.519575 0.519575 0.166333 O\n0.368274 0.826737 0.911875 O\n",
"nsites": 28,
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],
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"volume_molar": 6.6818277867596345,
"formula_full": "Li4 Nb3 V2 Co3 O16",
"formula_reduced": "Li4Nb3V2Co3O16",
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"energy": -222.13711968,
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"spacegroup": 8
},
{
"id": "mp-757783",
"created_at": "2022-09-04T14:48:17.245531Z",
"structure_string": "Li4 Ti3 Cu3 W2 O16\n1.0\n2.983349 5.221330 0.000000\n-2.983349 5.221330 0.000000\n0.000000 0.440183 10.027469\nLi Ti Cu W O\n4 3 3 2 16\ndirect\n0.664924 0.664924 0.089380 Li\n0.992465 0.992465 0.024462 Li\n0.000593 0.000593 0.509857 Li\n0.331944 0.331944 0.585062 Li\n0.343485 0.848936 0.781008 Ti\n0.848936 0.343485 0.781008 Ti\n0.178082 0.178082 0.265596 Ti\n0.829255 0.829255 0.795292 Cu\n0.173737 0.661497 0.300104 Cu\n0.661497 0.173737 0.300104 Cu\n0.665503 0.665503 0.509857 W\n0.349037 0.349037 0.015613 W\n0.355978 0.840271 0.414978 O\n0.520172 0.520172 0.662455 O\n0.652569 0.652569 0.888517 O\n0.003653 0.003653 0.700903 O\n0.004039 0.004039 0.215497 O\n0.840271 0.355978 0.414978 O\n0.494925 0.962389 0.651343 O\n0.962389 0.494925 0.651343 O\n0.168459 0.168459 0.890144 O\n0.830013 0.830013 0.436214 O\n0.031560 0.455697 0.134460 O\n0.455697 0.031560 0.134460 O\n0.320620 0.320620 0.382564 O\n0.180250 0.660175 0.911423 O\n0.479138 0.479138 0.133977 O\n0.660175 0.180250 0.911423 O\n",
"nsites": 28,
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],
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"volume": 312.396764636202,
"volume_molar": 6.718918891456425,
"formula_full": "Li4 Ti3 Cu3 W2 O16",
"formula_reduced": "Li4Ti3Cu3(WO8)2",
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"energy": -214.50169664,
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"spacegroup": 8
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{
"id": "mp-1661623",
"created_at": "2022-09-04T14:48:01.635863Z",
"structure_string": "Li8 Ti6 V6 Te4 O32\n1.0\n3.118667 5.224527 0.005785\n-9.074768 5.064408 0.010334\n-0.003908 0.014110 10.280178\nLi Ti V Te O\n8 6 6 4 32\ndirect\n0.492788 0.169715 0.905680 Li\n0.992625 0.669739 0.905808 Li\n0.005693 0.997089 0.985987 Li\n0.505703 0.497015 0.986116 Li\n0.002156 0.999033 0.495168 Li\n0.502200 0.498857 0.495135 Li\n0.506179 0.832088 0.395308 Li\n0.006181 0.332155 0.395463 Li\n0.265868 0.909288 0.732204 Ti\n0.765964 0.409234 0.732295 Ti\n0.512382 0.327865 0.219779 Ti\n0.012389 0.827855 0.219781 Ti\n0.263881 0.079358 0.219342 Ti\n0.763900 0.579273 0.219366 Ti\n0.246898 0.584729 0.207713 V\n0.239795 0.415330 0.717282 V\n0.497243 0.672396 0.716939 V\n0.746882 0.084763 0.207631 V\n0.739861 0.914861 0.717448 V\n0.997906 0.172758 0.717013 V\n0.500815 0.164164 0.511575 Te\n0.000425 0.664207 0.511424 Te\n0.517124 0.828263 0.995765 Te\n0.017469 0.328256 0.995680 Te\n0.271939 0.242481 0.320118 O\n0.771962 0.742525 0.320169 O\n0.488797 0.170872 0.108593 O\n0.988806 0.670833 0.108655 O\n0.001939 0.999273 0.311063 O\n0.501949 0.499252 0.311111 O\n0.007565 0.991279 0.803958 O\n0.507714 0.491014 0.804192 O\n0.214579 0.929210 0.108539 O\n0.714604 0.429254 0.108637 O\n0.753382 0.077200 0.598430 O\n0.253339 0.577239 0.597980 O\n0.487051 0.845480 0.609720 O\n0.987051 0.345717 0.609561 O\n0.722088 0.766803 0.854597 O\n0.222293 0.266877 0.854773 O\n0.498958 0.331226 0.603973 O\n0.998885 0.831233 0.603946 O\n0.250002 0.081725 0.600852 O\n0.749869 0.581667 0.600877 O\n0.736177 0.249312 0.312169 O\n0.236160 0.749333 0.312159 O\n0.493616 0.008390 0.313579 O\n0.993568 0.508421 0.313725 O\n0.488638 0.990512 0.832463 O\n0.988750 0.490623 0.832418 O\n0.257715 0.761580 0.836707 O\n0.758255 0.261549 0.836868 O\n0.767475 0.918103 0.096056 O\n0.267666 0.418173 0.096183 O\n0.508572 0.657446 0.093896 O\n0.008607 0.157402 0.093813 O\n",
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"elements": [
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],
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"formula_full": "Li8 Ti6 V6 Te4 O32",
"formula_reduced": "Li4Ti3V3(TeO8)2",
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"updated_at": "2021-11-28T01:38:25.414000Z",
"spacegroup": 1
},
{
"id": "mp-774888",
"created_at": "2022-09-04T14:47:56.081800Z",
"structure_string": "Li4 Cr3 Cu3 W2 O16\n1.0\n5.960896 0.043847 0.145295\n-2.942527 5.097833 0.001544\n0.233793 0.137973 9.783951\nLi Cr Cu W O\n4 3 3 2 16\ndirect\n0.327343 0.663672 0.908641 Li\n0.994762 0.997358 0.989439 Li\n0.007528 0.003758 0.483411 Li\n0.689673 0.344848 0.411618 Li\n0.658536 0.829239 0.215837 Cr\n0.827757 0.660373 0.714221 Cr\n0.827696 0.167319 0.714201 Cr\n0.167480 0.830033 0.211990 Cu\n0.167513 0.337626 0.211924 Cu\n0.335069 0.167596 0.712218 Cu\n0.355281 0.677682 0.487289 W\n0.652759 0.326439 0.984967 W\n0.162648 0.819466 0.584818 O\n0.064783 0.532525 0.351138 O\n0.332864 0.666472 0.119490 O\n0.999126 0.999678 0.295398 O\n0.999105 0.999619 0.803226 O\n0.162585 0.343109 0.584809 O\n0.522201 0.977603 0.361010 O\n0.521967 0.544456 0.361048 O\n0.319963 0.159887 0.083523 O\n0.660363 0.830157 0.602119 O\n0.521421 0.486514 0.848311 O\n0.521335 0.034866 0.848242 O\n0.665428 0.332664 0.614546 O\n0.789015 0.641088 0.081688 O\n0.956667 0.478354 0.841020 O\n0.789135 0.147900 0.081702 O\n",
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"elements": [
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],
"chemical_system": "Cr-Cu-Li-O-W",
"density": 5.555130143053246,
"density_atomic": 0.09385258019357957,
"volume": 298.34022615305224,
"volume_molar": 6.416595843799692,
"formula_full": "Li4 Cr3 Cu3 W2 O16",
"formula_reduced": "Li4Cr3Cu3(WO8)2",
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"updated_at": "2021-11-28T01:38:18.218000Z",
"spacegroup": 8
},
{
"id": "mp-764773",
"created_at": "2022-09-04T14:47:56.978762Z",
"structure_string": "Li4 Cr3 Co2 Sb3 O16\n1.0\n3.064605 5.269564 0.000000\n-3.064605 5.269564 0.000000\n0.000000 0.067407 9.856529\nLi Cr Co Sb O\n4 3 2 3 16\ndirect\n0.670910 0.670910 0.900128 Li\n0.009852 0.009852 0.005672 Li\n0.011359 0.011359 0.490593 Li\n0.336018 0.336018 0.372889 Li\n0.830655 0.337315 0.215167 Cr\n0.337315 0.830655 0.215167 Cr\n0.167984 0.167984 0.715840 Cr\n0.653771 0.653771 0.475943 Co\n0.327084 0.327084 0.017916 Co\n0.829746 0.829746 0.215244 Sb\n0.662246 0.167810 0.715710 Sb\n0.167810 0.662246 0.715710 Sb\n0.838052 0.310854 0.606276 O\n0.517315 0.517315 0.331184 O\n0.667240 0.667240 0.105310 O\n0.998476 0.998476 0.311503 O\n0.999800 0.999800 0.819715 O\n0.310854 0.838052 0.606276 O\n0.966285 0.519326 0.334366 O\n0.519326 0.966285 0.334366 O\n0.159186 0.159186 0.106145 O\n0.844367 0.844367 0.602668 O\n0.487408 0.032056 0.828201 O\n0.032056 0.487408 0.828201 O\n0.333138 0.333138 0.603046 O\n0.685374 0.152043 0.101754 O\n0.486879 0.486879 0.830854 O\n0.152043 0.685374 0.101754 O\n",
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],
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"density": 4.813881778267048,
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"formula_full": "Li4 Cr3 Co2 Sb3 O16",
"formula_reduced": "Li4Cr3Co2Sb3O16",
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},
{
"id": "mp-776267",
"created_at": "2022-09-04T14:47:57.912416Z",
"structure_string": "Li4 Mn3 Cr3 W2 O16\n1.0\n3.015606 5.223027 0.000000\n-3.015606 5.223027 0.000000\n0.000000 0.269215 9.778499\nLi Mn Cr W O\n4 3 3 2 16\ndirect\n0.336249 0.336249 0.909496 Li\n0.996834 0.996834 0.987289 Li\n0.996552 0.996552 0.488337 Li\n0.671029 0.671029 0.405462 Li\n0.168602 0.168602 0.211767 Mn\n0.337981 0.827220 0.712609 Mn\n0.827220 0.337981 0.712609 Mn\n0.168014 0.660523 0.213514 Cr\n0.660523 0.168014 0.213514 Cr\n0.828669 0.828669 0.715092 Cr\n0.332178 0.332178 0.485726 W\n0.667268 0.667268 0.986076 W\n0.163767 0.648592 0.586893 O\n0.479323 0.479323 0.340209 O\n0.334239 0.334239 0.112320 O\n0.998913 0.998913 0.302795 O\n0.996272 0.996272 0.801496 O\n0.648592 0.163767 0.586893 O\n0.043683 0.489031 0.348713 O\n0.489031 0.043683 0.348713 O\n0.829149 0.829149 0.099329 O\n0.170825 0.170825 0.575068 O\n0.534921 0.962553 0.854870 O\n0.962553 0.534921 0.854870 O\n0.670741 0.670741 0.609998 O\n0.343129 0.826498 0.089429 O\n0.523682 0.523682 0.864690 O\n0.826498 0.343129 0.089429 O\n",
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],
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"density": 5.241095914845327,
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"formula_full": "Li4 Mn3 Cr3 W2 O16",
"formula_reduced": "Li4Mn3Cr3(WO8)2",
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}
]
}