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{
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"results": [
{
"id": "jvasp-101846",
"created_at": "2022-09-04T14:37:07.749518Z",
"updated_at": "2022-09-04T14:37:07.749553Z",
"structure_string": "H9 C13 S1 N1\n1.0\n4.522146 -0.023532 0.093273\n-2.221877 6.032521 -0.097403\n0.331122 0.072285 8.844218\nH C S N\n9 13 1 1\ndirect\n0.550450 0.124721 0.798437 H\n0.685622 0.298914 0.346343 H\n0.967344 0.124486 0.963029 H\n0.100450 0.692965 0.078294 H\n0.274048 0.868452 0.627559 H\n0.402592 0.692538 0.847290 H\n0.405085 0.868883 0.297861 H\n0.384887 0.124500 0.127306 H\n0.424278 0.299142 0.579238 H\n0.389049 0.288586 0.164943 C\n0.642194 0.387049 0.635343 C\n0.555555 0.386968 0.290243 C\n0.710230 0.288671 0.760739 C\n0.840129 0.600451 0.585984 C\n0.229811 0.398576 0.083872 C\n0.407025 0.707999 0.257439 C\n0.979191 0.398513 0.841827 C\n0.240033 0.611005 0.133354 C\n0.111351 0.707726 0.668050 C\n0.181238 0.610745 0.792233 C\n0.764971 0.719274 0.462720 C\n0.570999 0.600534 0.339514 C\n0.903718 0.996686 0.462628 S\n0.052147 0.293923 0.962907 N\n",
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{
"id": "jvasp-47950",
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"volume": 212.7817114325895,
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"formula_full": "Fe6 O3 F9",
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{
"id": "jvasp-12668",
"created_at": "2022-09-04T14:37:08.605689Z",
"updated_at": "2022-09-04T14:37:08.605718Z",
"structure_string": "V2 Pb3 O8\n1.0\n5.260932 0.010660 2.123946\n1.535864 5.031763 2.123946\n0.019665 0.014589 7.522806\nV Pb O\n2 3 8\ndirect\n0.587144 0.597986 0.205265 V\n0.402014 0.412855 0.794737 V\n0.168602 0.270291 0.388183 Pb\n0.729709 0.831398 0.611819 Pb\n-0.002802 0.002802 0.000000 Pb\n0.673350 0.777073 0.960477 O\n0.222927 0.326650 0.039525 O\n0.753479 0.654393 0.329940 O\n0.345607 0.246521 0.670062 O\n0.660025 0.255029 0.239955 O\n0.295414 0.756960 0.701981 O\n0.243040 0.704586 0.298021 O\n0.744971 0.339974 0.760046 O\n",
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"elements": [
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"volume": 198.6936273968162,
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{
"id": "jvasp-34252",
"created_at": "2022-09-04T14:37:08.895161Z",
"updated_at": "2022-09-04T14:37:08.895175Z",
"structure_string": "Ba1 Cu1 B2 O5\n1.0\n4.007075 -0.014074 -0.257962\n-0.481475 5.305111 -1.886151\n-0.014962 -0.007571 5.650968\nBa Cu B O\n1 1 2 5\ndirect\n-0.000001 0.995970 0.004029 Ba\n0.500000 0.407219 0.592782 Cu\n0.401395 0.871003 0.485501 B\n0.598603 0.514499 0.128999 B\n0.499998 0.762059 0.237941 O\n0.535170 0.333604 0.235638 O\n0.464830 0.764364 0.666397 O\n0.238415 0.083147 0.538663 O\n0.761581 0.461336 0.916854 O\n",
"nsites": 9,
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"elements": [
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"formula_full": "Ba1 Cu1 B2 O5",
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{
"id": "jvasp-29861",
"created_at": "2022-09-04T14:37:08.937613Z",
"updated_at": "2022-09-04T14:37:08.937632Z",
"structure_string": "Co1 H2 O2\n1.0\n2.529916 -0.646300 -0.193333\n-1.762316 3.167980 1.235075\n-0.247176 2.050724 6.273247\nCo H O\n1 2 2\ndirect\n0.116033 0.079448 0.976038 Co\n0.614506 0.077991 0.632562 H\n-0.038387 0.084276 0.320750 H\n0.860853 0.943060 0.724097 O\n0.383082 0.215767 0.227754 O\n",
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"formula_full": "Co1 H2 O2",
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{
"id": "jvasp-34222",
"created_at": "2022-09-04T14:37:09.316208Z",
"updated_at": "2022-09-04T14:37:09.316228Z",
"structure_string": "Li4 C1 O4\n1.0\n4.265154 0.160983 -1.718639\n-0.940437 4.190231 -1.942146\n-0.439972 -0.849647 4.988195\nLi C O\n4 1 4\ndirect\n0.006231 0.885041 0.704847 Li\n0.486061 0.301000 0.759885 Li\n0.751848 0.175562 0.196063 Li\n0.176677 0.759681 0.141097 Li\n0.465742 0.530319 0.450465 C\n0.767304 0.501848 0.683037 O\n0.534785 0.558808 0.217939 O\n0.190529 0.222773 0.247225 O\n0.393736 0.837881 0.653680 O\n",
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"density_atomic": 0.11470541875442009,
"volume": 78.46185557518129,
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"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 5
},
{
"id": "jvasp-34659",
"created_at": "2022-09-04T14:37:09.029476Z",
"updated_at": "2022-09-04T14:37:09.029496Z",
"structure_string": "Si4 O8\n1.0\n4.954618 -0.021621 -0.043016\n-1.532971 6.978970 -0.053275\n-1.786389 -3.447669 6.104939\nSi O\n4 8\ndirect\n0.795733 0.152513 0.284295 Si\n0.431674 0.152449 0.538713 Si\n0.821753 0.569161 0.619941 Si\n0.472735 0.871499 0.771027 Si\n0.689188 0.404326 0.707604 O\n0.621296 0.721749 0.619106 O\n0.789684 0.404382 0.367509 O\n0.174631 0.721770 0.773326 O\n0.722360 0.024961 0.022570 O\n0.376316 0.024827 0.672689 O\n0.549002 0.021902 0.346575 O\n0.124415 0.173400 0.421489 O\n",
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"density_atomic": 0.05735608436578617,
"volume": 209.21930310776574,
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{
"id": "jvasp-50388",
"created_at": "2022-09-04T14:37:09.368641Z",
"updated_at": "2022-09-04T14:37:09.368667Z",
"structure_string": "Sm4 U2 O11\n1.0\n0.000000 -5.351289 -5.348701\n2.741030 5.529484 -2.850186\n5.482060 -0.000000 -0.000000\nSm U O\n4 2 11\ndirect\n0.997383 0.975820 0.039222 Sm\n0.823516 0.336533 0.308846 Sm\n0.343151 0.330134 0.312045 Sm\n0.169284 0.690845 0.681710 Sm\n0.510671 0.016082 0.975911 U\n0.655997 0.650585 0.658659 U\n0.243899 0.022383 0.736609 O\n0.400137 0.615896 0.474913 O\n0.922767 0.644284 0.425659 O\n0.583333 0.333333 0.581608 O\n0.721020 0.966541 0.286105 O\n0.583333 0.333333 0.049231 O\n0.884401 0.678432 0.891981 O\n0.282267 0.988235 0.237079 O\n0.083333 0.333333 0.080302 O\n0.766531 0.050769 0.757476 O\n0.445648 0.700126 0.919313 O\n",
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"formula_full": "Sm4 U2 O11",
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{
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"created_at": "2022-09-04T14:37:10.626052Z",
"updated_at": "2022-09-04T14:37:10.626077Z",
"structure_string": "Hg2 P2 S7\n1.0\n5.904870 -0.000000 -0.000000\n-2.952436 5.365983 -1.286699\n-0.000000 0.035127 8.183459\nHg P S\n2 2 7\ndirect\n0.789854 0.575549 0.799376 Hg\n0.214304 0.424451 0.200624 Hg\n0.909561 0.825423 0.293979 P\n0.084139 0.174577 0.706021 P\n0.211554 0.947446 0.761944 S\n0.264109 0.052554 0.238056 S\n0.886636 0.516254 0.356472 S\n0.370382 0.483746 0.643528 S\n0.779288 0.000000 0.500000 S\n0.626864 0.751158 0.108311 S\n0.875706 0.248842 0.891689 S\n",
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{
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"created_at": "2022-09-04T14:37:10.179790Z",
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"structure_string": "Li1 Al1 As2 O7\n1.0\n4.641631 -0.005335 -0.732735\n-0.986977 5.031370 -1.004519\n-0.009398 0.004129 5.224733\nLi Al As O\n1 1 2 7\ndirect\n0.499999 0.246078 0.753922 Li\n0.499999 0.621361 0.378639 Al\n0.905283 0.179559 0.250405 As\n0.094717 0.749594 0.820441 As\n0.651662 0.357758 0.146090 O\n0.769350 0.544811 0.659582 O\n0.231878 0.628383 0.079073 O\n0.000000 0.062379 0.937621 O\n0.230648 0.340417 0.455190 O\n0.768120 0.920927 0.371616 O\n0.348336 0.853910 0.642242 O\n",
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{
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"updated_at": "2022-09-04T14:37:10.784731Z",
"structure_string": "Sb2 F8\n1.0\n5.145550 0.021103 0.414796\n-0.048163 5.138855 0.495666\n-1.808000 -1.907846 4.370075\nSb F\n2 8\ndirect\n0.498983 0.000453 -0.001293 Sb\n-0.001278 0.500636 -0.001148 Sb\n0.267142 0.222444 0.230083 F\n0.277294 0.232264 0.767500 F\n0.592432 0.640487 0.763853 F\n0.138466 0.772390 0.754628 F\n0.858844 0.907448 0.233660 F\n0.402721 0.768697 0.229444 F\n0.726993 0.361346 0.242701 F\n0.731047 0.096655 0.768045 F\n",
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{
"id": "jvasp-28388",
"created_at": "2022-09-04T14:37:10.853781Z",
"updated_at": "2022-09-04T14:37:10.853795Z",
"structure_string": "B2 S2 O9\n1.0\n0.000000 -4.196847 0.000000\n-3.900920 2.098423 0.329532\n0.021499 0.000000 -8.527465\nB S O\n2 2 9\ndirect\n0.823168 0.003846 0.853268 B\n0.819323 0.996153 0.146731 B\n0.490473 0.335662 0.728134 S\n0.154810 0.664337 0.271866 S\n0.635266 0.336396 0.579289 O\n0.298870 0.663604 0.420711 O\n0.498030 0.667226 0.791358 O\n0.830804 0.332774 0.208641 O\n0.685158 0.261899 0.859064 O\n0.423259 0.738101 0.140936 O\n0.094025 0.075424 0.726509 O\n0.018602 0.924576 0.273491 O\n0.961441 0.000000 0.000000 O\n",
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"formula_full": "B2 S2 O9",
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]
}