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{
"id": "jvasp-51724",
"created_at": "2022-09-04T14:37:27.849757Z",
"updated_at": "2022-09-04T14:37:27.849781Z",
"structure_string": "H8 I2 N2\n1.0\n6.092984 0.000000 0.000000\n0.000000 6.092984 0.000000\n0.000000 -0.000000 4.361555\nH I N\n8 2 2\ndirect\n0.500000 0.359650 0.138033 H\n0.500000 0.640349 0.138033 H\n0.000000 0.859650 0.861966 H\n0.000000 0.140349 0.861966 H\n0.359650 0.500000 0.861966 H\n0.640349 0.500000 0.861966 H\n0.859650 0.000000 0.138033 H\n0.140349 0.000000 0.138033 H\n0.500000 0.000000 0.461356 I\n0.000000 0.500000 0.538642 I\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.984912 0.012445\n10.764406 0.000000 0.000000\n0.000000 -0.192165 -5.962460\nNa Mn O\n12 4 12\ndirect\n0.904361 0.775586 0.052055 Na\n0.853835 0.002805 0.353457 Na\n0.980640 0.280093 0.497504 Na\n0.404361 0.724415 0.052054 Na\n0.519358 0.780093 0.502497 Na\n0.353835 0.497195 0.353457 Na\n0.646164 0.502805 0.646544 Na\n0.480640 0.219907 0.497504 Na\n0.595638 0.275586 0.947946 Na\n0.019359 0.719908 0.502496 Na\n0.146164 0.997195 0.646544 Na\n0.095638 0.224414 0.947946 Na\n0.170566 0.501461 0.834845 Mn\n0.670565 0.998540 0.834845 Mn\n0.329433 0.001461 0.165155 Mn\n0.829433 0.498539 0.165156 Mn\n0.603196 0.911449 0.109702 O\n0.675387 0.370655 0.296864 O\n0.693999 0.628447 0.307680 O\n0.806000 0.128447 0.692321 O\n0.824612 0.870656 0.703137 O\n0.896803 0.411449 0.890299 O\n0.103196 0.588552 0.109702 O\n0.175387 0.129345 0.296864 O\n0.193999 0.871554 0.307680 O\n0.306000 0.371553 0.692321 O\n0.324612 0.629345 0.703136 O\n0.396803 0.088551 0.890299 O\n",
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{
"id": "jvasp-104713",
"created_at": "2022-09-04T14:37:00.309279Z",
"updated_at": "2022-09-04T14:37:00.309305Z",
"structure_string": "Na1 Ti1 V1 S4\n1.0\n7.095234 -0.036991 0.969792\n6.279372 3.303513 0.969792\n-0.015496 -0.003785 5.898650\nNa Ti V S\n1 1 1 4\ndirect\n0.243908 0.243911 0.898631 Na\n0.493826 0.493827 0.492290 Ti\n0.991787 0.991787 0.016526 V\n0.892491 0.892493 0.704659 S\n0.387613 0.387614 0.205187 S\n0.592456 0.592458 0.810454 S\n0.098910 0.098911 0.305250 S\n",
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"spacegroup": 8
},
{
"id": "jvasp-69012",
"created_at": "2022-09-04T14:36:00.490930Z",
"updated_at": "2022-09-04T14:36:00.490955Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.247122 -0.000000 0.000000\n0.000000 4.247122 -0.000000\n0.000000 -0.000000 8.471703\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.765699 Mg\n0.000000 0.000000 0.234301 Mg\n",
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{
"id": "jvasp-68962",
"created_at": "2022-09-04T14:35:41.612855Z",
"updated_at": "2022-09-04T14:35:41.612887Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.246360 -0.000000 0.000000\n-0.000000 4.246360 -0.000000\n0.000000 -0.000000 8.475200\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.265445 Mg\n-0.000000 0.000000 0.734555 Mg\n",
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{
"id": "jvasp-29891",
"created_at": "2022-09-04T14:37:35.095744Z",
"updated_at": "2022-09-04T14:37:35.095762Z",
"structure_string": "Mn4 H8 S4 O16\n1.0\n4.851728 -0.164297 0.000000\n-0.234196 5.954803 0.000000\n0.000000 0.000000 11.850946\nMn H S O\n4 8 4 16\ndirect\n0.631665 0.795715 0.721239 Mn\n0.368335 0.204284 0.278762 Mn\n0.131665 0.295716 0.778762 Mn\n0.868335 0.704283 0.221239 Mn\n0.972453 0.743183 0.516892 H\n0.527546 0.756816 0.016892 H\n0.609680 0.414838 0.893352 H\n0.472453 0.243183 0.983109 H\n0.890320 0.085160 0.393351 H\n0.390320 0.585161 0.106649 H\n0.109679 0.914839 0.606649 H\n0.027547 0.256816 0.483109 H\n0.568516 0.288522 0.599071 S\n0.931484 0.211477 0.099071 S\n0.431484 0.711477 0.400929 S\n0.068515 0.788522 0.900929 S\n0.449057 0.305597 0.906670 O\n0.050943 0.194403 0.406670 O\n0.550943 0.694402 0.093330 O\n0.949057 0.805596 0.593330 O\n0.874167 0.289152 0.627675 O\n0.125832 0.710847 0.372325 O\n0.374167 0.789152 0.872325 O\n0.075078 0.426761 0.156872 O\n0.575077 0.926761 0.343128 O\n0.924922 0.573238 0.843129 O\n0.951164 0.973804 0.823753 O\n0.548835 0.526194 0.323753 O\n0.048836 0.026195 0.176247 O\n0.451164 0.473805 0.676247 O\n0.625833 0.210847 0.127675 O\n0.424922 0.073238 0.656872 O\n",
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"formula_full": "Mn4 H8 S4 O16",
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"spacegroup": 14
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{
"id": "jvasp-91341",
"created_at": "2022-09-04T14:35:56.573502Z",
"updated_at": "2022-09-04T14:35:56.573517Z",
"structure_string": "Ba2 P20\n1.0\n6.522011 0.000000 0.000000\n-3.261006 6.348253 0.000000\n0.000000 0.000000 12.064909\nBa P\n2 20\ndirect\n0.186001 0.372004 0.002050 Ba\n0.813998 0.627996 0.502050 Ba\n0.227103 0.957181 0.318058 P\n0.772896 0.042819 0.818058 P\n0.615743 0.741778 0.167804 P\n0.384256 0.258221 0.667804 P\n0.126034 0.741778 0.167804 P\n0.873965 0.258221 0.667804 P\n0.445941 0.891883 0.065092 P\n0.554058 0.108117 0.565092 P\n0.094258 0.188516 0.276532 P\n0.730076 0.957181 0.318058 P\n0.804134 0.608270 0.926449 P\n0.596056 0.192113 0.284960 P\n0.403943 0.807887 0.784960 P\n0.928490 0.856980 0.057728 P\n0.071509 0.143020 0.557728 P\n0.612664 0.225329 0.104865 P\n0.387335 0.774671 0.604865 P\n0.269923 0.042819 0.818058 P\n0.195865 0.391730 0.426449 P\n0.905741 0.811483 0.776532 P\n",
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"elements": [
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{
"id": "jvasp-100505",
"created_at": "2022-09-04T14:36:39.952138Z",
"updated_at": "2022-09-04T14:36:39.952146Z",
"structure_string": "Sr3 Sc1\n1.0\n5.006437 -0.234823 -4.427859\n-1.170160 4.873425 -4.427859\n0.194206 0.234823 6.680765\nSr Sc\n3 1\ndirect\n0.750001 0.250000 0.500001 Sr\n0.250001 0.750001 0.500001 Sr\n0.500000 0.500001 0.000001 Sr\n0.000000 0.000000 0.000000 Sc\n",
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{
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"created_at": "2022-09-04T14:36:55.141387Z",
"updated_at": "2022-09-04T14:36:55.141406Z",
"structure_string": "Hf1 H10 C7 O4\n1.0\n4.506718 0.087208 -0.395826\n1.638008 4.649790 0.093969\n-1.000897 0.186846 9.135966\nHf H C O\n1 10 7 4\ndirect\n0.675907 0.163472 0.806399 Hf\n-0.282217 0.914736 0.339345 H\n0.170295 0.773776 0.528895 H\n0.243150 0.403063 0.502365 H\n0.614209 0.565093 0.164756 H\n0.552293 0.695401 0.420783 H\n0.088409 0.684966 0.149428 H\n0.321669 0.432635 0.297960 H\n0.337011 0.785027 0.856961 H\n0.517030 0.172703 0.114583 H\n0.848851 0.269041 0.298131 H\n-0.022315 0.566276 0.667919 C\n0.055992 0.609275 0.517079 C\n0.122067 0.121582 -0.015295 C\n0.769257 0.691882 0.383342 C\n0.824332 0.487719 0.256932 C\n0.124441 0.469371 0.200993 C\n0.253246 0.243278 0.097960 C\n0.881973 0.328390 0.674946 O\n0.271805 0.513027 0.779147 O\n0.741211 0.812942 0.701438 O\n0.383073 0.950619 0.910412 O\n",
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{
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"created_at": "2022-09-04T14:37:14.301896Z",
"updated_at": "2022-09-04T14:37:14.301921Z",
"structure_string": "Mg2 C2 O6\n1.0\n4.240339 -0.015849 3.761554\n1.681814 3.892587 3.761554\n-0.024211 -0.015849 5.668261\nMg C O\n2 2 6\ndirect\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.750000 0.472841 0.027158 O\n0.027158 0.750001 0.472841 O\n0.527158 0.972842 0.249999 O\n0.250000 0.527159 0.972841 O\n0.972841 0.250000 0.527158 O\n0.472842 0.027159 0.749999 O\n",
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{
"id": "jvasp-105092",
"created_at": "2022-09-04T14:36:49.417100Z",
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"structure_string": "Cu1 Cl2\n1.0\n4.517915 0.000000 0.000000\n0.000000 4.517915 0.000000\n0.000000 0.000000 3.680498\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.000000 -0.000000 Cl\n-0.000000 0.500001 -0.000000 Cl\n",
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{
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"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n6.431362 -0.000000 3.713149\n2.143787 6.063546 3.713149\n-0.000000 -0.000000 7.426296\nK Na Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.753103 0.246897 0.246897 Cl\n0.246897 0.246897 0.753103 Cl\n0.246897 0.753103 0.753103 Cl\n0.246897 0.753103 0.246897 Cl\n0.753103 0.246897 0.753103 Cl\n0.753103 0.753103 0.246897 Cl\n",
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]
}