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{
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{
"id": "mp-1192620",
"created_at": "2022-09-04T14:40:15.256506Z",
"structure_string": "U8 V1 Se17\n1.0\n4.378527 6.916036 0.000000\n-4.378527 6.916036 0.000000\n0.000000 2.079456 10.617894\nU V Se\n8 1 17\ndirect\n0.819349 0.301630 0.298005 U\n0.301630 0.819349 0.298005 U\n0.180651 0.698370 0.701995 U\n0.698370 0.180651 0.701995 U\n0.203071 0.203071 0.541649 U\n0.796929 0.796929 0.458351 U\n0.681232 0.681232 0.984279 U\n0.318768 0.318768 0.015721 U\n0.000000 0.000000 0.000000 V\n0.819108 0.434328 0.536587 Se\n0.434328 0.819108 0.536587 Se\n0.180892 0.565672 0.463413 Se\n0.565672 0.180892 0.463413 Se\n0.942834 0.323784 0.027450 Se\n0.323784 0.942834 0.027450 Se\n0.057166 0.676216 0.972550 Se\n0.676216 0.057166 0.972550 Se\n0.213975 0.213975 0.276540 Se\n0.786025 0.786025 0.723460 Se\n0.059833 0.059833 0.771458 Se\n0.940167 0.940167 0.228542 Se\n0.300612 0.300612 0.755103 Se\n0.699388 0.699388 0.244897 Se\n0.521366 0.521366 0.831380 Se\n0.478634 0.478634 0.168620 Se\n0.000000 0.000000 0.500000 Se\n",
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{
"id": "mp-764651",
"created_at": "2022-09-04T14:40:12.154058Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n-5.229989 0.032241 -0.008929\n-0.097511 9.145190 -0.044459\n-2.502162 4.334588 -10.080086\nLi Fe B O\n4 8 8 24\ndirect\n0.972025 0.973069 0.399769 Li\n0.712451 0.721899 0.910684 Li\n0.517601 0.496657 0.654495 Li\n0.471445 0.469119 0.402909 Li\n0.979490 0.647681 0.376801 Fe\n0.737427 0.070443 0.880861 Fe\n0.505878 0.851487 0.629879 Fe\n0.766296 0.429069 0.131973 Fe\n0.226987 0.556209 0.881729 Fe\n0.473278 0.151231 0.378473 Fe\n0.034610 0.340792 0.628550 Fe\n0.265999 0.930609 0.133038 Fe\n0.977674 0.313980 0.374123 B\n0.734520 0.396988 0.874997 B\n0.536437 0.185551 0.626919 B\n0.764042 0.103424 0.131204 B\n0.471814 0.808435 0.383100 B\n0.234342 0.892846 0.879391 B\n0.010347 0.682591 0.625449 B\n0.267001 0.605265 0.126992 B\n0.972401 0.902394 0.880316 O\n0.889717 0.280041 0.849506 O\n0.836865 0.495093 0.926675 O\n0.868764 0.811249 0.624216 O\n0.918601 0.568370 0.588839 O\n0.744534 0.155049 0.688682 O\n0.737296 0.350450 0.332081 O\n0.498143 0.419954 0.844371 O\n0.388169 0.791155 0.830554 O\n0.570564 0.916635 0.427266 O\n0.590382 0.675164 0.386866 O\n0.361882 0.979030 0.930920 O\n0.633445 0.017659 0.079599 O\n0.421605 0.328117 0.603231 O\n0.449792 0.076235 0.584060 O\n0.629445 0.215143 0.170765 O\n0.533777 0.596457 0.114616 O\n0.253886 0.668155 0.662235 O\n0.239090 0.846547 0.337234 O\n0.086940 0.421128 0.412918 O\n0.090119 0.177980 0.378834 O\n0.131740 0.512629 0.084179 O\n0.137588 0.714025 0.172436 O\n0.011513 0.072359 0.146362 O\n",
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"elements": [
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],
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"density": 3.2631523337853308,
"density_atomic": 0.09149770941380451,
"volume": 480.88635531854743,
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"formula_full": "Li4 Fe8 B8 O24",
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},
{
"id": "mp-1213600",
"created_at": "2022-09-04T14:40:21.191250Z",
"structure_string": "Cs4 La8 Br28\n1.0\n7.778423 0.000000 0.000000\n0.000000 14.039413 0.000000\n0.000000 0.000000 15.006901\nCs La Br\n4 8 28\ndirect\n0.250000 0.805450 0.041809 Cs\n0.750000 0.194550 0.958191 Cs\n0.750000 0.305450 0.458191 Cs\n0.250000 0.694550 0.541809 Cs\n0.250000 0.460622 0.237593 La\n0.750000 0.539378 0.762407 La\n0.750000 0.960622 0.262407 La\n0.250000 0.039378 0.737593 La\n0.250000 0.157033 0.250017 La\n0.750000 0.842967 0.749983 La\n0.750000 0.657033 0.249983 La\n0.250000 0.342967 0.750017 La\n0.010504 0.306279 0.175256 Br\n0.989496 0.693721 0.824744 Br\n0.989496 0.806279 0.324744 Br\n0.510504 0.693721 0.824744 Br\n0.010504 0.193721 0.675256 Br\n0.489496 0.306279 0.175256 Br\n0.489496 0.193721 0.675256 Br\n0.510504 0.806279 0.324744 Br\n0.009931 0.577325 0.123122 Br\n0.990069 0.422675 0.876878 Br\n0.990069 0.077325 0.376878 Br\n0.509931 0.422675 0.876878 Br\n0.009931 0.922675 0.623122 Br\n0.490069 0.577325 0.123122 Br\n0.490069 0.922675 0.623122 Br\n0.509931 0.077325 0.376878 Br\n0.010452 0.039681 0.133329 Br\n0.989548 0.960319 0.866671 Br\n0.989548 0.539681 0.366671 Br\n0.510452 0.960319 0.866671 Br\n0.010452 0.460319 0.633329 Br\n0.489548 0.039681 0.133329 Br\n0.489548 0.460319 0.633329 Br\n0.510452 0.539681 0.366671 Br\n0.250000 0.312652 0.389940 Br\n0.750000 0.687348 0.610060 Br\n0.750000 0.812652 0.110060 Br\n0.250000 0.187348 0.889940 Br\n",
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"elements": [
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"La",
"Br"
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"volume": 1638.8210149915792,
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"formula_full": "Cs4 La8 Br28",
"formula_reduced": "CsLa2Br7",
"formula_anonymous": "AB2C7",
"energy": -184.71604214,
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"spacegroup": 62
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{
"id": "mp-1034137",
"created_at": "2022-09-04T14:40:12.162362Z",
"structure_string": "Sr1 Mg14 Ti1 O16\n1.0\n8.692876 0.000000 0.000000\n0.000000 8.692876 0.000000\n0.000000 0.000000 4.399161\nSr Mg Ti O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.250900 0.500000 Mg\n0.000000 0.749100 0.500000 Mg\n0.500000 0.240626 0.500000 Mg\n0.500000 0.759374 0.500000 Mg\n0.250900 0.000000 0.500000 Mg\n0.240626 0.500000 0.500000 Mg\n0.749100 0.000000 0.500000 Mg\n0.759374 0.500000 0.500000 Mg\n0.245823 0.245823 -0.000000 Mg\n0.245823 0.754177 -0.000000 Mg\n0.754177 0.245823 0.000000 Mg\n0.754177 0.754177 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.250222 0.000000 0.000000 O\n0.228513 0.500000 0.000000 O\n0.749778 0.000000 0.000000 O\n0.771487 0.500000 -0.000000 O\n0.249718 0.249718 0.500000 O\n0.249718 0.750282 0.500000 O\n0.750282 0.249718 0.500000 O\n0.750282 0.750282 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.250222 0.000000 O\n0.000000 0.749778 0.000000 O\n0.500000 0.228513 -0.000000 O\n0.500000 0.771487 0.000000 O\n",
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"volume": 332.4274099139004,
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"formula_full": "Sr1 Mg14 Ti1 O16",
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"updated_at": "2021-11-28T01:34:48.226000Z",
"spacegroup": 123
},
{
"id": "mp-1178787",
"created_at": "2022-09-04T14:40:14.632363Z",
"structure_string": "V16 O32\n1.0\n8.607022 0.000000 0.000000\n0.000000 8.607022 0.000000\n0.000000 0.000000 7.765556\nV O\n16 32\ndirect\n0.981706 0.201674 0.875365 V\n0.201674 0.981706 0.624635 V\n0.798326 0.981706 0.124635 V\n0.518294 0.298326 0.124635 V\n0.798326 0.018294 0.624635 V\n0.018294 0.201674 0.375365 V\n0.481706 0.298326 0.624635 V\n0.201674 0.018294 0.124635 V\n0.701674 0.518294 0.875365 V\n0.701674 0.481706 0.375365 V\n0.018294 0.798326 0.875365 V\n0.518294 0.701674 0.624635 V\n0.298326 0.518294 0.375365 V\n0.481706 0.701674 0.124635 V\n0.298326 0.481706 0.875365 V\n0.981706 0.798326 0.375365 V\n0.995182 0.849808 0.125250 O\n0.349808 0.504818 0.125250 O\n0.504818 0.650192 0.874750 O\n0.839101 0.660462 0.874753 O\n0.349808 0.495182 0.625250 O\n0.160462 0.339101 0.374753 O\n0.160899 0.339538 0.874753 O\n0.495182 0.650192 0.374750 O\n0.339101 0.839538 0.625247 O\n0.160899 0.660462 0.374753 O\n0.339101 0.160462 0.125247 O\n0.004818 0.150192 0.125250 O\n0.504818 0.349808 0.374750 O\n0.849808 0.004818 0.874750 O\n0.660899 0.160462 0.625247 O\n0.660462 0.160899 0.125247 O\n0.839101 0.339538 0.374753 O\n0.650192 0.504818 0.625250 O\n0.150192 0.004818 0.374750 O\n0.150192 0.995182 0.874750 O\n0.660462 0.839101 0.625247 O\n0.004818 0.849808 0.625250 O\n0.995182 0.150192 0.625250 O\n0.650192 0.495182 0.125250 O\n0.160462 0.660899 0.874753 O\n0.660899 0.839538 0.125247 O\n0.849808 0.995182 0.374750 O\n0.339538 0.839101 0.125247 O\n0.339538 0.160899 0.625247 O\n0.839538 0.339101 0.874753 O\n0.839538 0.660899 0.374753 O\n0.495182 0.349808 0.874750 O\n",
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{
"id": "mp-541582",
"created_at": "2022-09-04T14:40:19.000753Z",
"structure_string": "Re4 Se8\n1.0\n6.669910 0.000000 0.000000\n-3.273773 5.951860 0.000000\n-1.759869 -1.229883 6.872408\nRe Se\n4 8\ndirect\n0.064232 0.316166 0.490846 Re\n0.935768 0.683834 0.509154 Re\n0.486745 0.290893 0.496785 Re\n0.513255 0.709107 0.503215 Re\n0.255349 0.386402 0.223832 Se\n0.744651 0.613598 0.776168 Se\n0.725892 0.342743 0.255420 Se\n0.274108 0.657257 0.744580 Se\n0.220389 0.106541 0.708452 Se\n0.779611 0.893459 0.291548 Se\n0.750788 0.134439 0.682474 Se\n0.249212 0.865561 0.317526 Se\n",
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"formula_full": "Re4 Se8",
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{
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{
"id": "mp-6065",
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"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n0.000000 3.988719 3.988719\n3.988719 0.000000 3.988719\n3.988719 3.988719 0.000000\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Sb\n0.749888 0.250112 0.749888 O\n0.250112 0.250112 0.749888 O\n0.749888 0.749888 0.250112 O\n0.749888 0.250112 0.250112 O\n0.250112 0.749888 0.250112 O\n0.250112 0.749888 0.749888 O\n",
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{
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{
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}