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{
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"results": [
{
"id": "jvasp-121972",
"created_at": "2022-09-04T14:38:54.208658Z",
"updated_at": "2022-09-04T14:38:54.208687Z",
"structure_string": "Pr6 Pd8\n1.0\n7.459435 0.003524 -3.398524\n-5.284024 5.265194 -3.398524\n0.001455 0.003524 8.197142\nPr Pd\n6 8\ndirect\n0.404648 0.027587 0.279478 Pr\n0.027587 0.279478 0.404649 Pr\n0.279478 0.404648 0.027587 Pr\n0.595350 0.972411 0.720521 Pr\n0.972411 0.720520 0.595351 Pr\n0.720521 0.595349 0.972412 Pr\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n0.223167 0.059438 0.554517 Pd\n0.059438 0.554516 0.223168 Pd\n0.554516 0.223167 0.059438 Pd\n0.776831 0.940560 0.445483 Pd\n0.940561 0.445481 0.776832 Pd\n0.445482 0.776831 0.940561 Pd\n",
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{
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"structure_string": "K2 Na1 Sc1 Br6\n1.0\n6.664718 -0.000000 3.847877\n2.221573 6.283556 3.847877\n-0.000000 -0.000000 7.695753\nK Na Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.758060 0.241940 0.241940 Br\n0.241940 0.241940 0.758060 Br\n0.241940 0.758060 0.758060 Br\n0.241940 0.758060 0.241941 Br\n0.758060 0.241940 0.758060 Br\n0.758059 0.758060 0.241941 Br\n",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-21048",
"created_at": "2022-09-04T14:38:32.751292Z",
"updated_at": "2022-09-04T14:38:32.751320Z",
"structure_string": "Y4 Ga12 Pd1\n1.0\n7.053447 0.000000 -2.493770\n-3.526724 6.108465 -2.493770\n-0.000000 -0.000000 7.481312\nY Ga Pd\n4 12 1\ndirect\n0.500000 -0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 -0.000000 Y\n0.500000 0.749999 0.250000 Ga\n0.000000 0.703103 0.703104 Ga\n0.296896 0.296896 -0.000000 Ga\n0.703104 0.703103 -0.000000 Ga\n0.703104 0.000000 0.703104 Ga\n0.000000 0.296896 0.296896 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.500000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.296896 0.000000 0.296896 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 17,
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],
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"density": 6.690416600230452,
"density_atomic": 0.05273970026938723,
"volume": 322.3378197670125,
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"formula_full": "Y4 Ga12 Pd1",
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{
"id": "jvasp-99703",
"created_at": "2022-09-04T14:36:14.168295Z",
"updated_at": "2022-09-04T14:36:14.168316Z",
"structure_string": "K2 La1 Au1 Cl6\n1.0\n6.665093 0.000000 3.848093\n2.221697 6.283910 3.848093\n0.000000 0.000000 7.696186\nK La Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.747691 0.252309 0.252309 Cl\n0.252309 0.252309 0.747691 Cl\n0.252309 0.747691 0.747691 Cl\n0.252309 0.747691 0.252308 Cl\n0.747691 0.252309 0.747691 Cl\n0.747691 0.747691 0.252308 Cl\n",
"nsites": 10,
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{
"id": "jvasp-45745",
"created_at": "2022-09-04T14:37:33.570827Z",
"updated_at": "2022-09-04T14:37:33.570848Z",
"structure_string": "Na4 In2 P2 C2 O14\n1.0\n0.000000 5.220797 -0.031242\n6.768189 0.000000 0.000000\n0.000000 -0.014234 -9.122734\nNa In P C O\n4 2 2 2 14\ndirect\n0.229512 0.496528 0.214771 Na\n0.229512 0.003472 0.214771 Na\n0.770489 0.503472 0.785228 Na\n0.770489 0.996528 0.785228 Na\n0.779580 0.750000 0.365491 In\n0.220421 0.250000 0.634509 In\n0.715763 0.250000 0.419494 P\n0.284238 0.750000 0.580506 P\n0.716719 0.750000 0.076479 C\n0.283282 0.250000 0.923520 C\n0.472349 0.250000 0.824843 O\n0.187020 0.933863 0.663086 O\n0.187020 0.566138 0.663086 O\n0.815536 0.250000 0.580331 O\n0.585349 0.750000 0.573120 O\n0.414652 0.250000 0.426879 O\n0.946928 0.750000 0.132404 O\n0.812982 0.433863 0.336913 O\n0.812982 0.066137 0.336913 O\n0.527652 0.750000 0.175156 O\n0.053074 0.250000 0.867596 O\n0.328727 0.250000 0.058840 O\n0.184465 0.750000 0.419668 O\n0.671274 0.750000 0.941160 O\n",
"nsites": 24,
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"volume": 322.3579249650753,
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"formula_full": "Na4 In2 P2 C2 O14",
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"spacegroup": 11
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{
"id": "jvasp-12926",
"created_at": "2022-09-04T14:37:07.044972Z",
"updated_at": "2022-09-04T14:37:07.044996Z",
"structure_string": "Ca2 In2 Br6\n1.0\n4.245547 -0.000000 0.000000\n-2.122773 6.986158 -0.000000\n-0.000000 0.000000 10.868456\nCa In Br\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.758867 0.517731 0.750000 In\n0.241135 0.482269 0.250000 In\n0.863668 0.727333 0.451586 Br\n0.136334 0.272668 0.548414 Br\n0.136334 0.272668 0.951586 Br\n0.863668 0.727333 0.048414 Br\n0.433832 0.867662 0.750000 Br\n0.566169 0.132338 0.250000 Br\n",
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"volume": 322.3590803087489,
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"formula_full": "Ca2 In2 Br6",
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"spacegroup": 63
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{
"id": "jvasp-29154",
"created_at": "2022-09-04T14:37:51.241125Z",
"updated_at": "2022-09-04T14:37:51.241150Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291125 0.000021 -0.000193\n-1.645545 2.850077 -0.001523\n-0.002020 -0.019539 34.367267\nMo W Se S\n2 2 6 2\ndirect\n0.333422 0.666960 0.094713 Mo\n0.333344 0.666749 0.467109 Mo\n0.666656 0.333259 0.280922 W\n0.666594 0.333078 0.660182 W\n0.333711 0.667222 0.709475 Se\n0.666349 0.332883 0.045699 Se\n0.666195 0.332526 0.418055 Se\n0.667129 0.334064 0.143775 Se\n0.667208 0.334164 0.516173 Se\n0.332761 0.665712 0.610806 Se\n0.333724 0.667327 0.325808 S\n0.332926 0.666061 0.236033 S\n",
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{
"id": "jvasp-56519",
"created_at": "2022-09-04T14:37:00.695793Z",
"updated_at": "2022-09-04T14:37:00.695817Z",
"structure_string": "Li8 Ca4\n1.0\n3.058545 -5.297557 -0.000000\n3.058545 5.297557 -0.000000\n-0.000000 -0.000000 9.949728\nLi Ca\n8 4\ndirect\n0.167232 0.832769 0.250000 Li\n0.167232 0.334463 0.250000 Li\n0.334463 0.167232 0.750000 Li\n0.832769 0.167232 0.750000 Li\n0.665539 0.832770 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.832770 0.665539 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.562115 Ca\n0.666668 0.333334 0.437886 Ca\n0.666668 0.333334 0.062114 Ca\n0.333334 0.666668 0.937886 Ca\n",
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{
"id": "jvasp-98537",
"created_at": "2022-09-04T14:35:57.039468Z",
"updated_at": "2022-09-04T14:35:57.039486Z",
"structure_string": "V4 Bi4 O16\n1.0\n5.061869 0.000000 0.000000\n0.000000 5.306819 0.000000\n0.000000 0.000000 12.003934\nV Bi O\n4 4 16\ndirect\n0.000000 0.750000 0.606154 V\n0.500000 0.250000 0.893846 V\n0.000000 0.250000 0.393846 V\n0.500000 0.750000 0.106154 V\n0.000000 0.750000 0.881367 Bi\n0.500000 0.250000 0.618632 Bi\n0.000000 0.250000 0.118633 Bi\n0.500000 0.750000 0.381367 Bi\n0.851322 0.041271 0.305679 O\n0.351321 0.958729 0.194321 O\n0.351321 0.458729 0.805679 O\n0.851322 0.541271 0.694321 O\n0.148679 0.958729 0.694321 O\n0.648679 0.041271 0.805679 O\n0.245620 0.582862 0.034241 O\n0.754380 0.417138 0.965759 O\n0.254380 0.082862 0.465759 O\n0.754380 0.917138 0.034241 O\n0.148679 0.458729 0.305679 O\n0.254380 0.582862 0.534241 O\n0.745620 0.917138 0.534241 O\n0.245620 0.082862 0.965759 O\n0.745620 0.417138 0.465759 O\n0.648679 0.541271 0.194321 O\n",
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{
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"created_at": "2022-09-04T14:37:33.802675Z",
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"structure_string": "Th2 Br8\n1.0\n7.199343 -0.020949 -2.124277\n-4.028230 5.966938 -2.124277\n0.011172 0.020949 7.506196\nTh Br\n2 8\ndirect\n0.874999 0.125000 0.750000 Th\n0.125000 0.875000 0.250000 Th\n0.203204 0.266226 0.563021 Br\n0.640183 0.203204 0.436979 Br\n0.359816 0.796796 0.563021 Br\n0.796795 0.733774 0.436979 Br\n0.796795 0.359816 0.063020 Br\n0.733774 0.796796 0.936979 Br\n0.203204 0.640184 0.936979 Br\n0.266226 0.203204 0.063021 Br\n",
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{
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"structure_string": "V2 I6\n1.0\n10.070668 -0.000013 0.000007\n-5.035343 8.721467 -0.000010\n0.000003 -0.000002 3.671448\nV I\n2 6\ndirect\n0.333333 0.666667 0.750002 V\n0.666668 0.333334 0.250002 V\n0.213032 0.426064 0.250001 I\n0.573937 0.786969 0.250001 I\n0.213033 0.786970 0.250001 I\n0.786978 0.573956 0.750000 I\n0.426045 0.213023 0.750001 I\n0.786978 0.213022 0.750001 I\n",
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{
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"created_at": "2022-09-04T14:38:17.501994Z",
"updated_at": "2022-09-04T14:38:17.502021Z",
"structure_string": "K4 Ca1 U3 O12\n1.0\n7.054475 0.000000 -2.494133\n-3.527237 6.109355 -2.494133\n-0.000000 -0.000000 7.482400\nK Ca U O\n4 1 3 12\ndirect\n0.499999 0.500000 0.500000 K\n0.500000 -0.000000 0.000000 K\n-0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 U\n0.499999 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.728176 0.728177 0.000000 O\n0.728177 0.000000 0.728177 O\n0.499999 0.250000 0.750000 O\n0.271822 0.271822 0.000000 O\n-0.000001 0.728177 0.728177 O\n0.499999 0.749999 0.250000 O\n0.749999 0.500000 0.250000 O\n0.249999 0.500000 0.750000 O\n0.749999 0.250000 0.500000 O\n0.249999 0.749999 0.500000 O\n-0.000000 0.271822 0.271823 O\n0.271822 0.000000 0.271823 O\n",
"nsites": 20,
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]
}