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{
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"results": [
{
"id": "jvasp-122442",
"created_at": "2022-09-04T14:38:53.959359Z",
"updated_at": "2022-09-04T14:38:53.959386Z",
"structure_string": "K4 Ag4 Te4 S12\n1.0\n10.680776 0.000000 0.000000\n-0.000000 7.011611 2.045657\n-0.000000 0.008372 8.407767\nK Ag Te S\n4 4 4 12\ndirect\n0.247159 0.486637 0.879395 K\n0.752841 0.513363 0.120606 K\n0.747159 0.513363 0.620606 K\n0.252841 0.486637 0.379395 K\n0.253733 0.913952 0.518094 Ag\n0.746267 0.086048 0.481907 Ag\n0.753733 0.086048 0.981907 Ag\n0.246267 0.913952 0.018094 Ag\n0.010061 0.088775 0.726121 Te\n0.989939 0.911225 0.273880 Te\n0.510061 0.911225 0.773880 Te\n0.489939 0.088775 0.226121 Te\n0.952919 0.289251 0.900729 S\n0.049039 0.722077 0.546940 S\n0.950961 0.277922 0.453061 S\n0.549040 0.277922 0.953061 S\n0.450961 0.722078 0.046940 S\n0.734722 0.854442 0.787389 S\n0.265279 0.145557 0.212611 S\n0.234722 0.145557 0.712612 S\n0.765279 0.854442 0.287389 S\n0.452919 0.710748 0.599272 S\n0.547082 0.289251 0.400729 S\n0.047082 0.710749 0.099272 S\n",
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{
"id": "jvasp-120724",
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"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
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"formula_full": "Rb4 Cu4 Te4 S12",
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{
"id": "jvasp-120525",
"created_at": "2022-09-04T14:38:53.176095Z",
"updated_at": "2022-09-04T14:38:53.176129Z",
"structure_string": "La4 V2 Fe2 O12\n1.0\n5.447325 0.000050 0.000519\n0.000036 7.732548 0.002223\n-0.000768 0.001789 5.484872\nLa V Fe O\n4 2 2 12\ndirect\n0.522256 0.250685 0.503931 La\n0.022334 0.249304 0.996311 La\n0.477738 0.749313 0.496064 La\n0.977673 0.750700 0.003687 La\n0.000006 -0.000000 0.499999 V\n0.499994 0.499999 -0.000000 V\n0.000001 0.500000 0.500000 Fe\n0.499999 0.000000 0.000001 Fe\n0.723082 0.966822 0.276242 O\n0.223083 0.533262 0.223756 O\n0.724420 0.533121 0.275861 O\n0.224391 0.966819 0.224089 O\n0.275587 0.466876 0.724137 O\n0.493680 0.249523 0.063081 O\n0.506325 0.750479 0.936919 O\n0.006207 0.749524 0.562981 O\n0.776919 0.466741 0.776243 O\n0.993793 0.250477 0.437021 O\n0.775608 0.033182 0.775912 O\n0.276915 0.033178 0.723758 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "La4 V2 Fe2 O12",
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},
{
"id": "jvasp-122084",
"created_at": "2022-09-04T14:38:53.041651Z",
"updated_at": "2022-09-04T14:38:53.041676Z",
"structure_string": "Fe6 P4 O20\n1.0\n7.212602 0.000000 0.000000\n-0.000000 6.331355 3.468191\n-0.000000 -0.054858 7.351044\nFe P O\n6 4 20\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.220584 0.775310 0.744723 Fe\n0.720584 0.724688 0.255277 Fe\n0.779416 0.224689 0.255277 Fe\n0.279416 0.275310 0.744723 Fe\n0.638687 0.989076 0.748156 P\n0.138687 0.510922 0.251843 P\n0.361313 0.010923 0.251843 P\n0.861313 0.489077 0.748156 P\n0.720589 0.402119 0.930223 O\n0.855483 0.009228 0.195896 O\n0.355483 0.490772 0.804104 O\n0.256963 0.933477 0.454708 O\n0.756963 0.566521 0.545292 O\n0.743037 0.066521 0.545292 O\n0.243037 0.433478 0.454708 O\n0.220589 0.097880 0.069777 O\n0.779411 0.902118 0.930223 O\n0.482275 0.838467 0.248556 O\n0.017724 0.338467 0.248556 O\n0.517724 0.161532 0.751444 O\n0.982275 0.661532 0.751444 O\n0.644517 0.509227 0.195896 O\n0.014304 0.704772 0.209327 O\n0.514304 0.795226 0.790673 O\n0.985695 0.295227 0.790672 O\n0.485696 0.204772 0.209327 O\n0.279411 0.597880 0.069777 O\n0.144517 -0.009228 0.804104 O\n",
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"density_atomic": 0.08900448219449739,
"volume": 337.06167667424194,
"volume_molar": 6.766109539112979,
"formula_full": "Fe6 P4 O20",
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"spacegroup": 14
},
{
"id": "jvasp-5590",
"created_at": "2022-09-04T14:38:16.898207Z",
"updated_at": "2022-09-04T14:38:16.898221Z",
"structure_string": "P8 Se20\n1.0\n0.000000 5.759144 0.008214\n20.376477 0.000000 0.000000\n0.000000 -2.790013 -6.420013\nP Se\n8 20\ndirect\n0.727105 0.666114 0.731653 P\n0.772894 0.166114 0.268347 P\n0.272894 0.333886 0.268347 P\n0.227106 0.833886 0.731653 P\n0.298962 0.545910 0.723889 P\n0.201038 0.045909 0.276111 P\n0.701037 0.454091 0.276111 P\n0.798962 0.954091 0.723889 P\n0.844424 0.895053 0.014948 Se\n0.634378 0.692426 0.012390 Se\n0.865621 0.192426 -0.012390 Se\n0.800487 0.053225 0.267791 Se\n0.134378 0.807574 0.012390 Se\n0.699513 0.553225 0.732210 Se\n0.655576 0.395053 -0.014947 Se\n0.365621 0.307574 -0.012390 Se\n0.155576 0.104947 -0.014947 Se\n0.430900 0.106584 0.565492 Se\n0.569100 0.893416 0.434508 Se\n0.930900 0.393416 0.565492 Se\n0.300487 0.446775 0.267791 Se\n0.069100 0.606584 0.434508 Se\n0.867014 0.806804 0.445220 Se\n0.632985 0.306804 0.554781 Se\n0.132986 0.193196 0.554780 Se\n0.367015 0.693197 0.445220 Se\n0.344424 0.604947 0.014948 Se\n0.199513 0.946776 0.732209 Se\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.029318664774981,
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"volume": 752.9283933835268,
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"formula_full": "P8 Se20",
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{
"id": "jvasp-25786",
"created_at": "2022-09-04T14:38:16.844349Z",
"updated_at": "2022-09-04T14:38:16.844373Z",
"structure_string": "Na4 Sr4 B4 O12\n1.0\n0.000000 5.349423 0.025808\n9.292278 0.000000 0.000000\n0.000000 -1.110934 -5.951061\nNa Sr B O\n4 4 4 12\ndirect\n0.742585 0.758507 0.963884 Na\n0.257415 0.258507 0.536116 Na\n0.257415 0.241493 0.036116 Na\n0.742585 0.741494 0.463884 Na\n0.245881 0.585737 0.216406 Sr\n0.754118 0.085737 0.283594 Sr\n0.754119 0.414263 0.783594 Sr\n0.245882 0.914263 0.716406 Sr\n0.247169 0.580723 0.737991 B\n0.247168 0.919278 0.237991 B\n0.752832 0.080723 0.762009 B\n0.752831 0.419278 0.262009 B\n0.960595 0.157811 0.718322 O\n0.272874 0.060622 0.312223 O\n0.960595 0.342189 0.218322 O\n0.727127 0.939379 0.687776 O\n0.428426 0.855063 0.134055 O\n0.571573 0.355062 0.365945 O\n0.428427 0.644938 0.634055 O\n0.571574 0.144938 0.865944 O\n0.272874 0.439379 0.812223 O\n0.039405 0.657811 0.781677 O\n0.039405 0.842189 0.281677 O\n0.727126 0.560622 0.187777 O\n",
"nsites": 24,
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],
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"volume": 295.5508594241989,
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"formula_full": "Na4 Sr4 B4 O12",
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{
"id": "jvasp-40171",
"created_at": "2022-09-04T14:38:16.862745Z",
"updated_at": "2022-09-04T14:38:16.862763Z",
"structure_string": "K4 Si4 Bi4 S16\n1.0\n0.000000 6.546008 -0.016297\n6.712770 0.000000 0.000000\n0.000000 -5.215280 -16.227023\nK Si Bi S\n4 4 4 16\ndirect\n0.219886 0.246877 0.965105 K\n0.780114 0.746877 0.534895 K\n0.780114 0.753123 0.034895 K\n0.219886 0.253123 0.465105 K\n0.292665 0.734108 0.844536 Si\n0.707335 0.234108 0.655464 Si\n0.707335 0.265892 0.155464 Si\n0.292665 0.765892 0.344536 Si\n0.739016 0.711938 0.279076 Bi\n0.260984 0.211938 0.220924 Bi\n0.260984 0.288062 0.720924 Bi\n0.739016 0.788062 0.779076 Bi\n0.903478 0.190755 0.781610 S\n0.096523 0.690755 0.718390 S\n0.487650 0.504307 0.360819 S\n0.512351 0.004307 0.139181 S\n0.512351 0.495693 0.639181 S\n0.487650 0.995693 0.860819 S\n0.090242 0.757540 0.421342 S\n0.480961 0.996783 0.630735 S\n0.909758 0.242460 0.578658 S\n0.090242 0.742460 0.921342 S\n0.519039 0.003217 0.369265 S\n0.480961 0.503217 0.130735 S\n0.903478 0.309245 0.281610 S\n0.519039 0.496783 0.869265 S\n0.909758 0.257540 0.078658 S\n0.096523 0.809245 0.218390 S\n",
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"density": 3.7642782004893944,
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{
"id": "jvasp-101280",
"created_at": "2022-09-04T14:38:17.040334Z",
"updated_at": "2022-09-04T14:38:17.040344Z",
"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
"nsites": 24,
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},
{
"id": "jvasp-12114",
"created_at": "2022-09-04T14:38:17.091990Z",
"updated_at": "2022-09-04T14:38:17.092018Z",
"structure_string": "Sn4 P4 O12 F4\n1.0\n4.690486 0.054851 0.000000\n-0.944712 6.079343 0.000000\n0.000000 0.000000 12.554218\nSn P O F\n4 4 12 4\ndirect\n0.963468 0.731334 0.374299 Sn\n0.036533 0.268665 0.625701 Sn\n0.963468 0.231334 0.125701 Sn\n0.036533 0.768665 0.874299 Sn\n0.603647 0.163821 0.851854 P\n0.396354 0.336179 0.351853 P\n0.396354 0.836179 0.148147 P\n0.603647 0.663820 0.648147 P\n0.237562 0.477533 0.425149 O\n0.794823 0.802277 0.727658 O\n0.762439 0.522467 0.574851 O\n0.794823 0.302278 0.772343 O\n0.323680 0.046368 0.803914 O\n0.676321 0.453632 0.303914 O\n0.205178 0.197722 0.272343 O\n0.205178 0.697722 0.227658 O\n0.762439 0.022467 0.925149 O\n0.237562 0.977532 0.074851 O\n0.323680 0.546368 0.696087 O\n0.676321 0.953632 0.196086 O\n0.496278 0.156421 0.429724 F\n0.503723 0.843578 0.570277 F\n0.503723 0.343579 0.929724 F\n0.496278 0.656421 0.070276 F\n",
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{
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"created_at": "2022-09-04T14:38:17.632560Z",
"updated_at": "2022-09-04T14:38:17.632579Z",
"structure_string": "Sr4 Nb8 O24\n1.0\n0.000000 7.759223 -0.003199\n5.647193 0.000000 0.000000\n0.000000 -0.055257 -11.207408\nSr Nb O\n4 8 24\ndirect\n0.249863 0.463197 0.039284 Sr\n0.750136 0.963197 0.460716 Sr\n0.750136 0.536802 0.960716 Sr\n0.249863 0.036802 0.539284 Sr\n0.479745 0.466936 0.356935 Nb\n0.479744 0.033064 0.856935 Nb\n0.520255 0.533063 0.643065 Nb\n0.520255 0.966936 0.143065 Nb\n0.992199 0.472933 0.355896 Nb\n0.992198 0.027067 0.855896 Nb\n0.007801 0.527067 0.644104 Nb\n0.007801 0.972933 0.144104 Nb\n0.036108 0.779282 0.973583 O\n0.948249 0.133603 0.289073 O\n0.051751 0.633603 0.210927 O\n0.464216 0.778459 0.973648 O\n0.535783 0.278460 0.526353 O\n0.535783 0.221540 0.026352 O\n0.464217 0.721540 0.473648 O\n0.036108 0.720717 0.473583 O\n0.963891 0.220718 0.026417 O\n0.963891 0.279282 0.526417 O\n0.445793 0.861889 0.711631 O\n0.748504 0.964617 0.853383 O\n0.554206 0.138111 0.288369 O\n0.445793 0.638111 0.211631 O\n0.251495 0.035383 0.146617 O\n0.748504 0.535383 0.353383 O\n0.948248 0.366397 0.789073 O\n0.251495 0.464617 0.646617 O\n0.751837 0.851224 0.127963 O\n0.248163 0.351224 0.372037 O\n0.248163 0.148776 0.872037 O\n0.751836 0.648776 0.627963 O\n0.554206 0.361889 0.788369 O\n0.051751 0.866397 0.710927 O\n",
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{
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"created_at": "2022-09-04T14:38:18.131259Z",
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{
"id": "jvasp-26741",
"created_at": "2022-09-04T14:38:18.217646Z",
"updated_at": "2022-09-04T14:38:18.217665Z",
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}