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{
"id": "jvasp-35220",
"created_at": "2022-09-04T14:37:34.910411Z",
"updated_at": "2022-09-04T14:37:34.910423Z",
"structure_string": "Cd5 S4 Cl2\n1.0\n0.000000 4.257796 0.000000\n4.351744 -2.128898 -5.741079\n-8.683157 0.000000 -4.444474\nCd S Cl\n5 4 2\ndirect\n0.555390 0.110777 0.924623 Cd\n0.830103 0.660203 0.988606 Cd\n0.856849 0.713699 0.615444 Cd\n0.451429 0.902858 0.331426 Cd\n0.182112 0.364225 0.272907 Cd\n0.963129 0.926256 0.848925 S\n0.592947 0.185893 0.190341 S\n0.316324 0.632648 0.119454 S\n0.313437 0.626873 0.487459 S\n0.689477 0.378954 0.780689 Cl\n0.026884 0.053767 0.471798 Cl\n",
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{
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"structure_string": "Co1 H2 O2\n1.0\n2.704184 -0.159084 0.845299\n-1.489863 2.580518 0.000000\n0.997248 0.575762 6.210924\nCo H O\n1 2 2\ndirect\n0.041992 0.020996 0.127314 Co\n0.175060 0.587530 -0.269320 H\n-0.129831 0.435083 0.557287 H\n0.757665 0.378833 0.738400 O\n0.155122 0.577561 0.276519 O\n",
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{
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"updated_at": "2022-09-04T14:37:35.966977Z",
"structure_string": "Zn1 Sn4 O8\n1.0\n3.259821 0.023470 0.326247\n-1.641468 7.456147 -0.583366\n-0.764840 -2.423963 7.805636\nZn Sn O\n1 4 8\ndirect\n0.736560 0.131766 0.859692 Zn\n0.780489 0.219900 0.469750 Sn\n0.498846 0.656597 0.809842 Sn\n0.372454 0.403586 0.148199 Sn\n0.085424 0.829725 0.466414 Sn\n0.513918 0.686751 0.324815 O\n0.850802 0.360296 0.298245 O\n0.026603 0.712178 0.655816 O\n0.353892 0.366639 0.619740 O\n0.189617 0.038210 0.349209 O\n0.232932 0.124444 0.979290 O\n0.678535 0.015916 0.605687 O\n0.892971 0.444635 0.004512 O\n",
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{
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"created_at": "2022-09-04T14:37:37.547673Z",
"updated_at": "2022-09-04T14:37:37.547709Z",
"structure_string": "V1 Cu1 O3\n1.0\n-3.187718 0.027880 -0.055206\n-0.038687 -4.461988 -0.162796\n1.512911 1.961923 5.046861\nV Cu O\n1 1 3\ndirect\n0.725772 0.337277 0.103247 V\n0.403862 0.006974 0.461954 Cu\n0.854912 0.208290 0.362872 O\n0.581543 0.003727 0.812545 O\n0.242512 0.558032 0.137279 O\n",
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{
"id": "jvasp-40901",
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"updated_at": "2022-09-04T14:37:37.411797Z",
"structure_string": "Nb1 Bi1 O4\n1.0\n-4.018152 0.023925 -0.134003\n-0.034444 -4.086670 0.320290\n1.827613 1.159386 5.741586\nNb Bi O\n1 1 4\ndirect\n-0.001220 0.931139 -0.002265 Nb\n0.718762 0.315552 0.437271 Bi\n-0.007979 0.478978 0.984380 O\n0.175796 0.092466 0.351417 O\n0.831924 0.931348 0.663694 O\n0.532717 0.000512 0.065508 O\n",
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{
"id": "jvasp-26379",
"created_at": "2022-09-04T14:37:38.858187Z",
"updated_at": "2022-09-04T14:37:38.858198Z",
"structure_string": "Ba1 Be1 Si1 O4\n1.0\n4.397436 0.011378 2.480141\n1.447071 4.275221 2.495605\n-0.042806 -0.043090 5.157090\nBa Be Si O\n1 1 1 4\ndirect\n0.033835 0.980266 0.980263 Ba\n0.263230 0.252869 0.252870 Be\n0.514356 0.501534 0.501532 Si\n0.447139 0.376504 0.878875 O\n0.887055 0.322863 0.322866 O\n0.447145 0.878876 0.376503 O\n0.267938 0.436089 0.436088 O\n",
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{
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"created_at": "2022-09-04T14:37:40.408446Z",
"updated_at": "2022-09-04T14:37:40.408473Z",
"structure_string": "Zr6 N4 O6\n1.0\n-4.029733 -0.005980 0.000291\n2.006661 5.373372 0.004674\n-0.000425 -0.102212 -10.754028\nZr N O\n6 4 6\ndirect\n0.179729 0.362464 0.248034 Zr\n0.140457 0.283945 0.939376 Zr\n0.134639 0.272201 0.555863 Zr\n0.805734 0.614485 0.748727 Zr\n0.853441 0.709952 0.056093 Zr\n0.861099 0.725193 0.439217 Zr\n0.294537 0.592115 0.078129 N\n0.043797 0.090333 0.384618 N\n0.702734 0.408422 0.574206 N\n0.698851 0.400740 0.919055 N\n0.305991 0.614972 0.419208 O\n0.243975 0.490953 0.750793 O\n0.041563 0.086250 0.112070 O\n0.751156 0.505326 0.255978 O\n0.952458 0.907999 0.884231 O\n0.954976 0.913031 0.619214 O\n",
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"density_atomic": 0.06874958600766971,
"volume": 232.7286741510711,
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"formula_full": "Zr6 N4 O6",
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"formula_anonymous": "A2B3C3",
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{
"id": "jvasp-33928",
"created_at": "2022-09-04T14:37:43.090267Z",
"updated_at": "2022-09-04T14:37:43.090291Z",
"structure_string": "Te7 Mo4 S1\n1.0\n1.934277 2.949116 14.166558\n-1.575190 3.129999 -14.164086\n-1.938365 -2.922476 14.163443\nTe Mo S\n7 4 1\ndirect\n0.649329 0.334074 0.315279 Te\n0.228759 0.669448 0.559308 Te\n0.355999 0.667030 0.688942 Te\n0.775647 0.333189 0.442460 Te\n0.142464 0.331216 0.811281 Te\n0.726318 0.666609 0.059717 Te\n0.855904 0.667330 0.188551 Te\n0.457608 0.333248 0.124348 Mo\n0.532456 0.653960 0.878504 Mo\n0.959128 0.335097 0.624028 Mo\n0.055567 0.677218 0.378350 Mo\n0.260820 0.331582 0.929234 S\n",
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{
"id": "jvasp-40655",
"created_at": "2022-09-04T14:37:48.930561Z",
"updated_at": "2022-09-04T14:37:48.930587Z",
"structure_string": "Li4 V7 O9 F7\n1.0\n-4.185951 4.169216 -0.034415\n4.185951 -0.034415 4.169216\n4.252044 8.440650 -4.305850\nLi V O F\n4 7 9 7\ndirect\n0.988619 0.007646 0.003739 Li\n0.263617 0.613397 0.122990 Li\n0.263194 0.122421 0.614387 Li\n0.980922 0.513031 0.506049 Li\n0.628710 0.296143 0.075150 V\n0.100047 0.056022 0.306048 V\n0.649274 0.051104 0.802269 V\n0.637931 0.593907 0.306048 V\n0.624086 0.569552 0.806365 V\n0.614390 0.817090 0.568523 V\n0.146629 0.548458 0.802269 V\n0.390118 0.688867 0.921018 O\n0.381474 0.921746 0.696783 O\n0.393988 0.456558 0.686006 O\n0.857439 0.920009 0.686006 O\n0.850158 0.714713 0.435133 O\n0.391999 0.415308 0.192695 O\n0.861357 0.207159 0.931486 O\n0.857007 0.430320 0.712676 O\n0.880006 0.925560 0.194438 O\n0.379100 0.684203 0.440578 F\n0.875221 0.180324 0.440578 F\n0.869601 0.447823 0.193826 F\n0.366948 0.210707 0.422347 F\n0.869653 0.666671 0.938134 F\n0.395197 0.192215 0.938134 F\n0.358354 0.936574 0.193826 F\n",
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"formula_full": "Li4 V7 O9 F7",
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{
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"created_at": "2022-09-04T14:37:50.890960Z",
"updated_at": "2022-09-04T14:37:50.890980Z",
"structure_string": "Li4 V3 Ni3 W2 O16\n1.0\n5.850239 0.001296 -0.000374\n-2.923995 5.064505 -0.000008\n0.000624 0.000364 9.698080\nLi V Ni W O\n4 3 3 2 16\ndirect\n0.323794 0.661908 0.901600 Li\n0.005891 0.002956 0.986945 Li\n0.003147 0.001586 0.490023 Li\n0.662620 0.331321 0.405968 Li\n0.182954 0.829158 0.218914 V\n0.182956 0.353816 0.218914 V\n0.352580 0.176301 0.727153 V\n0.823963 0.656568 0.712187 Ni\n0.823964 0.167417 0.712187 Ni\n0.659874 0.829947 0.212809 Ni\n0.336515 0.668269 0.496063 W\n0.680710 0.340363 0.990876 W\n0.350399 0.175212 0.098357 O\n0.840635 0.661994 0.087466 O\n0.636156 0.318089 0.607235 O\n0.501303 0.031888 0.853918 O\n0.501305 0.469437 0.853919 O\n0.660428 0.830227 0.582906 O\n0.472541 0.512567 0.346507 O\n0.035022 0.517522 0.346790 O\n0.175477 0.343220 0.588166 O\n0.014067 0.007045 0.797181 O\n0.012451 0.006236 0.299495 O\n0.319435 0.659727 0.101734 O\n0.953132 0.476577 0.848392 O\n0.175480 0.832281 0.588165 O\n0.472540 0.959995 0.346507 O\n0.840634 0.178662 0.087466 O\n",
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{
"id": "jvasp-25290",
"created_at": "2022-09-04T14:37:51.628206Z",
"updated_at": "2022-09-04T14:37:51.628226Z",
"structure_string": "B12\n1.0\n6.375829 1.562720 7.431867\n-1.054257 1.414903 2.341497\n-4.229890 -3.668154 -1.522701\nB\n12\ndirect\n0.603371 0.034725 0.212157 B\n0.011481 0.860047 0.087263 B\n0.981803 0.309685 0.897493 B\n0.387106 0.128289 0.750396 B\n0.188852 0.576979 0.053840 B\n0.753891 0.408777 0.411895 B\n0.741346 0.038555 0.634499 B\n0.474947 0.336969 0.430871 B\n0.046711 0.099462 0.671598 B\n0.157261 0.860041 0.524465 B\n0.451229 0.925100 0.536106 B\n0.218010 0.398324 0.783283 B\n",
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"density_atomic": 0.12466471486654421,
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},
{
"id": "jvasp-41331",
"created_at": "2022-09-04T14:37:51.453586Z",
"updated_at": "2022-09-04T14:37:51.453613Z",
"structure_string": "Li4 Ti3 Fe3 Sb2 O16\n1.0\n5.837923 -0.014716 0.024690\n-2.906719 4.980924 0.056835\n-0.042589 -0.027467 10.054503\nLi Ti Fe Sb O\n4 3 3 2 16\ndirect\n0.669851 0.339713 0.899402 Li\n0.991117 0.982284 0.989516 Li\n-0.003398 -0.006800 0.494776 Li\n0.338580 0.677189 0.397189 Li\n0.350158 0.184717 0.214945 Ti\n0.834507 0.184718 0.214941 Ti\n0.176544 0.353083 0.718948 Ti\n0.173970 0.827262 0.722939 Fe\n0.653291 0.827263 0.722940 Fe\n0.819248 0.638536 0.204734 Fe\n0.672217 0.344439 0.508711 Sb\n0.336339 0.672714 0.990804 Sb\n0.158880 0.317806 0.088503 O\n0.150680 0.828559 0.094889 O\n0.337047 0.674086 0.606728 O\n0.484962 0.519203 0.845459 O\n0.034232 0.519201 0.845457 O\n0.846918 0.693830 0.619564 O\n0.988516 0.494500 0.320072 O\n0.513343 0.026729 0.319846 O\n0.842458 0.157690 0.613458 O\n-0.005277 -0.010549 0.811289 O\n-0.005116 -0.010186 0.302170 O\n0.657003 0.314059 0.094456 O\n0.484589 0.969188 0.837676 O\n0.315231 0.157685 0.613460 O\n0.505943 0.494497 0.320073 O\n0.677838 0.828558 0.094893 O\n",
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"formula_full": "Li4 Ti3 Fe3 Sb2 O16",
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}
]
}