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{
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"results": [
{
"id": "jvasp-20212",
"created_at": "2022-09-04T14:37:34.537632Z",
"updated_at": "2022-09-04T14:37:34.537659Z",
"structure_string": "Ca2 Be26\n1.0\n6.269124 -0.000000 3.619480\n2.089708 5.910586 3.619480\n-0.000000 -0.000000 7.238961\nCa Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.935102 0.288301 0.711699 Be\n0.711699 0.064898 0.935103 Be\n0.064898 0.711700 0.288300 Be\n0.211699 0.435103 0.564897 Be\n0.435102 0.564898 0.211699 Be\n0.564897 0.211699 0.435103 Be\n0.211699 0.564898 0.788301 Be\n0.211699 0.788301 0.435102 Be\n0.788300 0.564898 0.435102 Be\n0.288301 0.711700 0.935102 Be\n0.288301 0.064898 0.711699 Be\n0.064898 0.935103 0.711699 Be\n0.000000 0.000000 0.000000 Be\n0.711699 0.288301 0.064898 Be\n0.935102 0.064898 0.288301 Be\n0.064898 0.288301 0.935102 Be\n0.788300 0.435103 0.211699 Be\n0.435102 0.788301 0.564897 Be\n0.435102 0.211699 0.788301 Be\n0.564897 0.788301 0.211699 Be\n0.788300 0.211699 0.564898 Be\n0.564897 0.435103 0.788301 Be\n0.288301 0.935103 0.064897 Be\n0.500000 0.500000 0.500000 Be\n0.935102 0.711700 0.064898 Be\n0.711699 0.935103 0.288301 Be\n",
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{
"id": "jvasp-54286",
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"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
"nsites": 20,
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},
{
"id": "jvasp-44384",
"created_at": "2022-09-04T14:38:13.277632Z",
"updated_at": "2022-09-04T14:38:13.277658Z",
"structure_string": "Li3 Ti1 Cu4 O8\n1.0\n-0.280048 2.907168 -5.625562\n1.363174 -2.582986 -5.625562\n-5.077882 1.471160 -3.101741\nLi Ti Cu O\n3 1 4 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.499999 0.500000 0.000001 Ti\n-0.000001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000001 0.500000 0.000001 Cu\n0.471910 0.286804 0.814896 O\n0.989549 0.238252 0.714859 O\n0.523394 0.704408 0.714859 O\n0.966057 0.795018 0.828960 O\n0.033942 0.204982 0.171040 O\n0.476604 0.295592 0.285142 O\n0.010450 0.761748 0.285142 O\n0.528089 0.713195 0.185105 O\n",
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"spacegroup": 12
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{
"id": "jvasp-34220",
"created_at": "2022-09-04T14:37:08.719667Z",
"updated_at": "2022-09-04T14:37:08.719681Z",
"structure_string": "Li4 C1 O4\n1.0\n4.452601 -0.170244 0.111335\n0.183391 4.394003 0.072181\n-0.095531 -0.070021 4.396834\nLi C O\n4 1 4\ndirect\n0.004330 0.505035 0.005293 Li\n0.504319 0.002881 0.504473 Li\n0.004330 0.005286 0.505041 Li\n0.504319 0.504473 0.002868 Li\n0.504220 0.004658 0.004659 C\n0.692548 0.190327 0.190332 O\n0.314887 0.818704 0.190769 O\n0.694597 0.818108 0.818105 O\n0.314880 0.190768 0.818699 O\n",
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{
"id": "jvasp-97651",
"created_at": "2022-09-04T14:36:22.038856Z",
"updated_at": "2022-09-04T14:36:22.038871Z",
"structure_string": "P4 H12 O16\n1.0\n5.678820 0.000000 -0.490185\n0.000000 4.762627 0.000000\n0.060530 0.000000 11.331071\nP H O\n4 12 16\ndirect\n0.207660 0.185123 0.637485 P\n0.792340 0.685123 0.862514 P\n0.792340 0.814878 0.362514 P\n0.207660 0.314878 0.137485 P\n0.525111 0.147656 0.324185 H\n0.525111 0.352344 0.824185 H\n0.474889 0.852345 0.675815 H\n0.856531 0.486805 0.172604 H\n0.143469 0.986806 0.327395 H\n0.474889 0.647657 0.175815 H\n0.856531 0.013195 0.672604 H\n0.275510 0.933712 0.039372 H\n0.724490 0.433712 0.460627 H\n0.724490 0.066289 0.960627 H\n0.275510 0.566289 0.539372 H\n0.143469 0.513195 0.827395 H\n0.680826 0.386694 0.875299 O\n0.319174 0.886694 0.624701 O\n0.289106 0.182460 0.255382 O\n0.710894 0.682460 0.244618 O\n0.710894 0.817541 0.744618 O\n0.289106 0.317541 0.755382 O\n0.935599 0.347150 0.119300 O\n0.935599 0.152851 0.619300 O\n0.064401 0.652851 0.880700 O\n0.278085 0.140670 0.028304 O\n0.721915 0.640670 0.471695 O\n0.721915 0.859331 0.971695 O\n0.278085 0.359331 0.528304 O\n0.680826 0.113307 0.375299 O\n0.064401 0.847150 0.380700 O\n0.319174 0.613307 0.124701 O\n",
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"formula_full": "P4 H12 O16",
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"spacegroup": 14
},
{
"id": "jvasp-43751",
"created_at": "2022-09-04T14:37:51.449649Z",
"updated_at": "2022-09-04T14:37:51.449674Z",
"structure_string": "Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n",
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},
{
"id": "jvasp-111697",
"created_at": "2022-09-04T14:38:52.174981Z",
"updated_at": "2022-09-04T14:38:52.174991Z",
"structure_string": "B2 As2 H8 N2 O8 F2\n1.0\n4.652745 -0.006223 0.002147\n-2.508561 3.918570 0.002147\n-0.003292 -0.006006 12.624072\nB As H N O F\n2 2 8 2 8 2\ndirect\n0.570096 0.249280 0.689754 B\n0.249280 0.570095 0.189754 B\n0.900632 0.934138 0.772984 As\n0.934139 0.900631 0.272985 As\n0.636447 0.327746 0.075433 H\n0.254010 0.426552 0.459256 H\n0.426553 0.254009 0.959255 H\n0.327746 0.636446 0.575432 H\n0.801852 0.628808 0.978372 H\n0.263628 0.798017 0.463344 H\n0.798019 0.263627 0.963344 H\n0.628809 0.801851 0.478372 H\n0.666928 0.368835 0.994891 N\n0.368836 0.666927 0.494891 N\n0.766833 0.506436 0.771927 O\n0.506437 0.766832 0.271927 O\n0.553428 0.933820 0.721284 O\n0.933822 0.553428 0.221284 O\n0.215414 0.161431 0.678007 O\n0.161432 0.215413 0.178007 O\n0.004389 0.063268 0.899015 O\n0.063269 0.004388 0.399015 O\n0.721852 0.366768 0.588465 F\n0.366768 0.721851 0.088465 F\n",
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{
"id": "jvasp-101390",
"created_at": "2022-09-04T14:37:11.896257Z",
"updated_at": "2022-09-04T14:37:11.896286Z",
"structure_string": "Be3 Rh1\n1.0\n3.005467 -0.004287 -3.069973\n-0.503343 2.963022 -3.069973\n0.003626 0.004287 4.296225\nBe Rh\n3 1\ndirect\n0.750002 0.250000 0.500002 Be\n0.250002 0.750000 0.500002 Be\n0.500001 0.499999 0.000001 Be\n0.000000 0.000000 0.000000 Rh\n",
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},
{
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"created_at": "2022-09-04T14:36:07.991394Z",
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"structure_string": "Fe4 O6 F2\n1.0\n-0.125865 4.471758 2.877562\n-0.125865 4.471758 -2.877562\n-4.471758 0.125865 -2.877562\nFe O F\n4 6 2\ndirect\n0.777870 0.750000 0.527870 Fe\n0.222132 0.250000 0.472132 Fe\n0.500001 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.060463 0.750000 0.810463 O\n0.500002 0.803790 0.696211 O\n0.000001 0.303791 0.696210 O\n0.500001 0.196209 0.303792 O\n0.000001 0.696209 0.303792 O\n0.939539 0.250000 0.189540 O\n0.524046 0.250000 0.774046 F\n0.475957 0.750000 0.225957 F\n",
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{
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"created_at": "2022-09-04T14:37:31.240607Z",
"updated_at": "2022-09-04T14:37:31.240647Z",
"structure_string": "Li4 P2 N2 O4\n1.0\n0.000000 0.000000 -4.724073\n-4.515835 -2.695217 0.000000\n-4.515835 2.695217 0.000000\nLi P N O\n4 2 2 4\ndirect\n0.497804 0.007965 0.325193 Li\n0.497804 0.674808 0.992036 Li\n0.997804 0.992036 0.674808 Li\n0.997804 0.325193 0.007965 Li\n0.500243 0.344375 0.655626 P\n0.000243 0.655626 0.344375 P\n0.656098 0.615624 0.384377 N\n0.156098 0.384377 0.615624 N\n0.583525 0.332464 0.948406 O\n0.583525 0.051595 0.667537 O\n0.083525 0.667537 0.051595 O\n0.083525 0.948406 0.332464 O\n",
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"volume": 114.99485189643849,
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{
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"created_at": "2022-09-04T14:35:53.515646Z",
"updated_at": "2022-09-04T14:35:53.515662Z",
"structure_string": "Cd2 B4 H16\n1.0\n6.034284 -0.000000 0.000000\n0.000000 6.034284 0.000000\n0.000000 0.000000 5.789897\nCd B H\n2 4 16\ndirect\n0.000000 0.000000 0.996519 Cd\n0.500000 0.500000 0.496519 Cd\n0.273169 0.273169 0.224078 B\n0.726830 0.726830 0.224078 B\n0.773169 0.226831 0.724079 B\n0.226831 0.773169 0.724079 B\n0.699638 0.699638 0.019249 H\n0.300361 0.300361 0.019249 H\n0.365361 0.634638 0.791090 H\n0.634638 0.365361 0.791090 H\n0.865361 0.865361 0.291090 H\n0.134638 0.134638 0.291090 H\n0.198073 0.447915 0.303663 H\n0.052085 0.698072 0.803663 H\n0.947914 0.301927 0.803663 H\n0.800361 0.199639 0.519249 H\n0.301927 0.947914 0.803663 H\n0.698072 0.052085 0.803663 H\n0.552085 0.801927 0.303663 H\n0.447915 0.198073 0.303663 H\n0.801927 0.552085 0.303663 H\n0.199639 0.800361 0.519249 H\n",
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{
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"created_at": "2022-09-04T14:36:51.507477Z",
"updated_at": "2022-09-04T14:36:51.507487Z",
"structure_string": "Ti1 H8 C5 O4\n1.0\n5.221229 0.109486 -0.218201\n-0.834961 5.416460 -1.253609\n0.019245 -0.085337 6.099277\nTi H C O\n1 8 5 4\ndirect\n0.048553 0.113197 0.864565 Ti\n0.266063 0.080338 0.260674 H\n0.124613 0.783942 0.091848 H\n0.450165 0.446272 0.911268 H\n0.422381 0.927006 0.014467 H\n0.225211 0.498324 0.701539 H\n0.470363 0.564597 0.392129 H\n0.675253 0.710683 0.222388 H\n0.418644 0.246238 0.633210 H\n0.314115 0.358122 0.764192 C\n0.237629 0.961247 0.088599 C\n0.800001 0.376084 0.290290 C\n0.811478 0.785960 0.563138 C\n0.672403 0.610742 0.357165 C\n0.691835 0.921004 0.713633 O\n0.880601 0.328589 0.082412 O\n0.823131 0.243366 0.421272 O\n0.060112 0.814236 0.589833 O\n",
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}