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{
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{
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{
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"structure_string": "Ti1 Tl3 F6\n1.0\n0.000000 4.656297 4.656297\n4.656297 0.000000 4.656297\n4.656297 4.656297 0.000000\nTi Tl F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.790246 0.209754 0.790246 F\n0.209754 0.209754 0.790246 F\n0.790246 0.790246 0.209754 F\n0.790246 0.209754 0.209754 F\n0.209754 0.790246 0.209754 F\n0.209754 0.790246 0.790246 F\n",
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{
"id": "mp-29950",
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"structure_string": "Nb6 Cl16\n1.0\n3.415702 -5.916169 0.000000\n3.415702 5.916169 0.000000\n0.000000 0.000000 13.748900\nNb Cl\n6 16\ndirect\n0.056812 0.528406 0.753350 Nb\n0.471594 0.528406 0.753350 Nb\n0.471594 0.943188 0.753350 Nb\n0.528406 0.471594 0.246650 Nb\n0.943188 0.471594 0.246650 Nb\n0.528406 0.056812 0.246650 Nb\n0.169652 0.339303 0.633024 Cl\n0.660697 0.830348 0.633024 Cl\n0.169652 0.830348 0.633024 Cl\n0.830348 0.660697 0.366976 Cl\n0.830348 0.169652 0.366976 Cl\n0.339303 0.169652 0.366976 Cl\n0.666667 0.333333 0.112807 Cl\n0.333333 0.666667 0.887193 Cl\n0.333333 0.666667 0.344612 Cl\n0.666667 0.333333 0.655388 Cl\n0.668318 0.834159 0.148138 Cl\n0.165841 0.834159 0.148138 Cl\n0.165841 0.331682 0.148138 Cl\n0.834159 0.165841 0.851862 Cl\n0.331682 0.165841 0.851862 Cl\n0.834159 0.668318 0.851862 Cl\n",
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},
{
"id": "mp-30456",
"created_at": "2022-09-04T14:44:59.954205Z",
"structure_string": "Sr4 Li4 Bi4\n1.0\n4.948647 0.000000 0.000000\n0.000000 8.233678 0.000000\n0.000000 0.000000 8.691238\nSr Li Bi\n4 4 4\ndirect\n0.750000 0.496883 0.708591 Sr\n0.250000 0.503117 0.291409 Sr\n0.750000 0.996883 0.791409 Sr\n0.250000 0.003117 0.208591 Sr\n0.750000 0.337085 0.074907 Li\n0.250000 0.662915 0.925093 Li\n0.750000 0.837085 0.425093 Li\n0.250000 0.162915 0.574907 Li\n0.750000 0.723773 0.093813 Bi\n0.250000 0.276227 0.906187 Bi\n0.750000 0.223773 0.406187 Bi\n0.250000 0.776227 0.593813 Bi\n",
"nsites": 12,
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{
"id": "mp-697260",
"created_at": "2022-09-04T14:44:42.720054Z",
"structure_string": "Cd4 H32 C8 S8 Br8 N16\n1.0\n6.121600 0.000000 0.000000\n0.000000 13.172601 0.000000\n0.000000 0.000000 13.810666\nCd H C S Br N\n4 32 8 8 8 16\ndirect\n0.717676 0.155013 0.250000 Cd\n0.782324 0.655013 0.250000 Cd\n0.282324 0.844987 0.750000 Cd\n0.217676 0.344987 0.750000 Cd\n0.618291 0.123064 0.651630 H\n0.881709 0.623064 0.848370 H\n0.381709 0.876936 0.151630 H\n0.118291 0.376936 0.348370 H\n0.381709 0.876936 0.348370 H\n0.118291 0.376936 0.151630 H\n0.618291 0.123064 0.848370 H\n0.881709 0.623064 0.651630 H\n0.890938 0.104344 0.616918 H\n0.609062 0.604344 0.883082 H\n0.109062 0.895656 0.116918 H\n0.390938 0.395656 0.383082 H\n0.109062 0.895656 0.383082 H\n0.390938 0.395656 0.116918 H\n0.890938 0.104344 0.883082 H\n0.609062 0.604344 0.616918 H\n0.351031 0.142114 0.543568 H\n0.148969 0.642114 0.956432 H\n0.648969 0.857886 0.043568 H\n0.851031 0.357886 0.456432 H\n0.648969 0.857886 0.456432 H\n0.851031 0.357886 0.043568 H\n0.351031 0.142114 0.956432 H\n0.148969 0.642114 0.543568 H\n0.397923 0.138035 0.418481 H\n0.102077 0.638035 0.081519 H\n0.602077 0.861965 0.918481 H\n0.897923 0.361965 0.581519 H\n0.602077 0.861965 0.581519 H\n0.897923 0.361965 0.918481 H\n0.397923 0.138035 0.081519 H\n0.102077 0.638035 0.418481 H\n0.669454 0.119956 0.505555 C\n0.830546 0.619956 0.994445 C\n0.330546 0.880044 0.005555 C\n0.169454 0.380044 0.494445 C\n0.330546 0.880044 0.494445 C\n0.169454 0.380044 0.005555 C\n0.669454 0.119956 0.994445 C\n0.830546 0.619956 0.505555 C\n0.866184 0.104412 0.417641 S\n0.633816 0.604412 0.082359 S\n0.133816 0.895588 0.917641 S\n0.366184 0.395588 0.582359 S\n0.133816 0.895588 0.582359 S\n0.366184 0.395588 0.917641 S\n0.866184 0.104412 0.082359 S\n0.633816 0.604412 0.417641 S\n0.744825 0.361275 0.250000 Br\n0.755175 0.861275 0.250000 Br\n0.255175 0.638725 0.750000 Br\n0.244825 0.138725 0.750000 Br\n0.286282 0.122471 0.250000 Br\n0.213718 0.622471 0.250000 Br\n0.713718 0.877529 0.750000 Br\n0.786282 0.377529 0.750000 Br\n0.732307 0.116319 0.598117 N\n0.767693 0.616319 0.901883 N\n0.267693 0.883681 0.098117 N\n0.232307 0.383681 0.401883 N\n0.267693 0.883681 0.401883 N\n0.232307 0.383681 0.098117 N\n0.732307 0.116319 0.901883 N\n0.767693 0.616319 0.598117 N\n0.457864 0.135588 0.487429 N\n0.042136 0.635588 0.012571 N\n0.542136 0.864412 0.987429 N\n0.957864 0.364412 0.512571 N\n0.542136 0.864412 0.512571 N\n0.957864 0.364412 0.987429 N\n0.457864 0.135588 0.012571 N\n0.042136 0.635588 0.487429 N\n",
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"formula_full": "Cd4 H32 C8 S8 Br8 N16",
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{
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"structure_string": "Na8 Nb4 As4 O24\n1.0\n5.493423 7.419218 0.000000\n-5.493423 7.419218 0.000000\n0.000000 2.349006 7.047668\nNa Nb As O\n8 4 4 24\ndirect\n0.351736 0.929577 0.940428 Na\n0.929577 0.351736 0.440428 Na\n0.648264 0.070423 0.059572 Na\n0.005115 0.994885 0.750000 Na\n0.070423 0.648264 0.559572 Na\n0.546350 0.453650 0.250000 Na\n0.994885 0.005115 0.250000 Na\n0.453650 0.546350 0.750000 Na\n0.708257 0.713228 0.383872 Nb\n0.713228 0.708257 0.883872 Nb\n0.286772 0.291743 0.116128 Nb\n0.291743 0.286772 0.616128 Nb\n0.059013 0.683946 0.046711 As\n0.683946 0.059013 0.546711 As\n0.316054 0.940987 0.453289 As\n0.940987 0.316054 0.953289 As\n0.519718 0.680368 0.938104 O\n0.480282 0.319632 0.061896 O\n0.523283 0.208898 0.503962 O\n0.126729 0.839527 0.028041 O\n0.210502 0.313403 0.375403 O\n0.789498 0.686597 0.624597 O\n0.953057 0.640235 0.275692 O\n0.839527 0.126729 0.528041 O\n0.686597 0.789498 0.124597 O\n0.313403 0.210502 0.875403 O\n0.359765 0.046943 0.224308 O\n0.319632 0.480282 0.561896 O\n0.791102 0.476717 0.996038 O\n0.955991 0.723165 0.868656 O\n0.723165 0.955991 0.368656 O\n0.873271 0.160473 0.971959 O\n0.208898 0.523283 0.003962 O\n0.044009 0.276835 0.131344 O\n0.160473 0.873271 0.471959 O\n0.680368 0.519718 0.438104 O\n0.046943 0.359765 0.724308 O\n0.276835 0.044009 0.631344 O\n0.476717 0.791102 0.496038 O\n0.640235 0.953057 0.775692 O\n",
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{
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