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"id": "jvasp-10723",
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"structure_string": "Ca2 C4 S4 N4\n1.0\n5.802483 0.029833 0.076542\n2.249011 5.348986 0.076542\n0.006243 0.004171 7.705466\nCa C S N\n2 4 4 4\ndirect\n0.413714 0.586285 0.750000 Ca\n0.586285 0.413715 0.250000 Ca\n0.747539 0.017607 0.899365 C\n0.017607 0.747540 0.399364 C\n0.252460 0.982393 0.100635 C\n0.982392 0.252460 0.600635 C\n0.860228 0.734331 0.826936 S\n0.265669 0.139771 0.673064 S\n0.139770 0.265669 0.173064 S\n0.734330 0.860230 0.326936 S\n0.659222 0.226972 0.950639 N\n0.226972 0.659223 0.450638 N\n0.773027 0.340777 0.549362 N\n0.340777 0.773028 0.049361 N\n",
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"structure_string": "Ca2 Cl4\n1.0\n6.384320 -0.000000 0.000000\n-0.000000 6.384320 0.000000\n0.000000 0.000000 4.160853\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.697516 0.697516 0.000000 Cl\n0.197516 0.802484 0.500000 Cl\n0.302484 0.302484 0.000000 Cl\n0.802484 0.197516 0.500000 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:09.682655Z",
"structure_string": "Ca2 Cl4\n1.0\n4.160852 0.000000 0.000000\n0.000000 6.384321 0.000000\n0.000000 0.000000 6.384321\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.697515 0.697515 Cl\n0.500000 0.802484 0.197516 Cl\n0.000000 0.302484 0.302484 Cl\n0.500000 0.197516 0.802484 Cl\n",
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{
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"created_at": "2022-09-04T14:37:02.155278Z",
"updated_at": "2022-09-04T14:37:02.155290Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.693731 -2.933627 -0.000000\n1.693731 2.933627 0.000000\n0.000000 0.000000 4.484293\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.967883 Mg\n0.333333 0.666667 0.021668 H\n0.666667 0.333333 0.423649 H\n0.333333 0.666667 0.800396 O\n0.666667 0.333333 0.205867 O\n",
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"spacegroup": 156
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{
"id": "jvasp-10153",
"created_at": "2022-09-04T14:37:07.000842Z",
"updated_at": "2022-09-04T14:37:07.000862Z",
"structure_string": "K4 S6\n1.0\n6.171129 -0.024165 0.000000\n-1.848115 5.887945 0.000000\n-0.000000 -0.000000 7.344350\nK S\n4 6\ndirect\n0.423030 0.576970 0.659727 K\n0.576971 0.423030 0.159727 K\n0.894673 0.105328 0.386484 K\n0.105328 0.894672 0.886484 K\n0.389011 0.072906 0.502293 S\n0.610990 0.927094 0.002293 S\n0.927095 0.610990 0.502293 S\n0.072906 0.389010 0.002293 S\n0.795647 0.204354 0.839904 S\n0.204354 0.795646 0.339904 S\n",
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{
"id": "jvasp-91705",
"created_at": "2022-09-04T14:36:09.905903Z",
"updated_at": "2022-09-04T14:36:09.905924Z",
"structure_string": "Y1 Mg7\n1.0\n-4.625751 -4.625751 0.000000\n-4.625751 -0.000000 -4.625751\n0.000000 -4.625751 -4.625751\nY Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:13.863833Z",
"updated_at": "2022-09-04T14:36:13.863853Z",
"structure_string": "Li1 Be1 P2\n1.0\n3.209314 0.000000 0.000000\n0.000000 3.209314 -0.000000\n0.000000 -0.000000 5.780119\nLi Be P\n1 1 2\ndirect\n0.499999 0.499999 0.792012 Li\n-0.000000 0.000000 0.361156 Be\n0.000000 -0.000000 -0.005226 P\n0.499999 0.499999 0.352058 P\n",
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{
"id": "jvasp-74281",
"created_at": "2022-09-04T14:35:57.580247Z",
"updated_at": "2022-09-04T14:35:57.580265Z",
"structure_string": "Ca2 Sc1 Be1\n1.0\n4.838405 0.000000 -0.000000\n0.000000 4.838405 0.000000\n-0.000000 -0.000000 4.378680\nCa Sc Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Be\n",
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{
"id": "jvasp-113452",
"created_at": "2022-09-04T14:38:49.112113Z",
"updated_at": "2022-09-04T14:38:49.112131Z",
"structure_string": "B1 O3\n1.0\n4.732208 0.188070 0.975990\n-0.953253 -3.931207 0.477193\n-0.700481 1.621834 -2.869574\nB O\n1 3\ndirect\n0.774077 0.065290 0.722584 B\n0.103448 0.216015 -0.007883 O\n0.543068 0.847745 0.135798 O\n0.654695 0.177502 0.089353 O\n",
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},
{
"id": "jvasp-78308",
"created_at": "2022-09-04T14:37:08.512547Z",
"updated_at": "2022-09-04T14:37:08.512577Z",
"structure_string": "Mg1 Al1\n1.0\n3.397626 0.000000 -0.000000\n0.000000 3.397626 0.000000\n0.000000 0.000000 3.397626\nMg Al\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "jvasp-30025",
"created_at": "2022-09-04T14:38:06.586897Z",
"updated_at": "2022-09-04T14:38:06.586908Z",
"structure_string": "Zn4 C8 S8 N8\n1.0\n7.044362 -0.008263 2.511121\n-0.314024 7.647360 2.062238\n0.041248 -0.046211 10.312923\nZn C S N\n4 8 8 8\ndirect\n0.685643 0.396062 0.833457 Zn\n0.781562 0.065379 0.318900 Zn\n0.218439 0.934621 0.681100 Zn\n0.314358 0.603938 0.166543 Zn\n0.563257 0.103484 0.115296 C\n0.869095 0.703887 0.887827 C\n0.010878 0.255803 0.607917 C\n0.606261 0.424654 0.305882 C\n0.130906 0.296113 0.112173 C\n0.989123 0.744198 0.392082 C\n0.436744 0.896516 0.884704 C\n0.393740 0.575347 0.694117 C\n0.176701 0.168370 0.497092 S\n0.273954 0.680221 0.594018 S\n0.476339 0.039462 0.730994 S\n0.956849 0.882268 0.899158 S\n0.823300 0.831630 0.502908 S\n0.043151 0.117733 0.100842 S\n0.726047 0.319780 0.405981 S\n0.523661 0.960538 0.269006 S\n0.590748 0.203628 0.004272 N\n0.889484 0.318515 0.685408 N\n0.481519 0.496013 0.762870 N\n0.518482 0.503987 0.237129 N\n0.198489 0.423841 0.116907 N\n0.409253 0.796372 0.995727 N\n0.110517 0.681486 0.314591 N\n0.801512 0.576159 0.883093 N\n",
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{
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"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
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}