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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4080",
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"results": [
{
"id": "jvasp-88736",
"created_at": "2022-09-04T14:35:55.571582Z",
"updated_at": "2022-09-04T14:35:55.571608Z",
"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n9.772219 0.000000 -0.516764\n0.000000 8.296041 0.000000\n0.309195 0.000000 5.371853\nCa Mg Si O\n4 4 8 24\ndirect\n0.730051 0.445647 0.600516 Ca\n0.269950 0.945647 0.899484 Ca\n0.269950 0.554353 0.399484 Ca\n0.730051 0.054353 0.100516 Ca\n0.233840 0.333521 0.879080 Mg\n0.766161 0.833521 0.620920 Mg\n0.766160 0.666479 0.120920 Mg\n0.233840 0.166479 0.379080 Mg\n0.036805 0.847696 0.271090 Si\n0.963196 0.347696 0.228911 Si\n0.036805 0.652304 0.771089 Si\n0.963196 0.152304 0.728911 Si\n0.499742 0.669944 0.964188 Si\n0.499741 0.830056 0.464188 Si\n0.500259 0.330056 0.035812 Si\n0.500259 0.169944 0.535812 Si\n0.370452 0.310276 0.560996 O\n0.902159 0.271092 0.961225 O\n0.097842 0.771092 0.538775 O\n0.128574 0.352986 0.216545 O\n0.871426 0.852986 0.283456 O\n0.871426 0.647014 0.783455 O\n0.128575 0.147014 0.716545 O\n0.370452 0.189724 0.060996 O\n0.629549 0.689724 0.439005 O\n0.629549 0.810276 0.939004 O\n0.385876 0.490782 0.029005 O\n0.117975 0.010872 0.214943 O\n0.614124 0.509217 0.970995 O\n0.385876 0.009217 0.529005 O\n0.587494 0.273598 0.298382 O\n0.412507 0.773598 0.201619 O\n0.412507 0.726402 0.701619 O\n0.587494 0.226402 0.798381 O\n0.902158 0.228908 0.461225 O\n0.882026 0.510872 0.285058 O\n0.882026 0.989128 0.785057 O\n0.117975 0.489128 0.714942 O\n0.614124 0.990782 0.470995 O\n0.097842 0.728908 0.038775 O\n",
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"spacegroup": 14
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{
"id": "jvasp-86824",
"created_at": "2022-09-04T14:35:56.008261Z",
"updated_at": "2022-09-04T14:35:56.008285Z",
"structure_string": "Sb4 I12\n1.0\n7.341914 0.093416 0.000000\n-2.962922 8.099434 0.000000\n0.000000 0.000000 10.980844\nSb I\n4 12\ndirect\n0.040517 0.667078 0.673872 Sb\n0.040517 0.167078 0.826127 Sb\n0.959482 0.832922 0.173872 Sb\n0.959482 0.332922 0.326128 Sb\n0.225915 0.699239 0.442130 I\n0.340172 0.458665 0.742091 I\n0.340172 0.958665 0.757908 I\n0.777706 0.325269 0.907148 I\n0.222294 0.674731 0.092852 I\n0.777706 0.825268 0.592852 I\n0.774085 0.300761 0.557869 I\n0.225914 0.199239 0.057869 I\n0.774085 0.800761 0.942130 I\n0.222294 0.174732 0.407148 I\n0.659827 0.041335 0.242092 I\n0.659827 0.541335 0.257908 I\n",
"nsites": 16,
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],
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"density_atomic": 0.02438953623795863,
"volume": 656.0190338961188,
"volume_molar": 24.69149352101024,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
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"spacegroup": 14
},
{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
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],
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"density_atomic": 0.034553978080231466,
"volume": 810.3263808001014,
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"formula_full": "Si4 Pb8 Se16",
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{
"id": "jvasp-87905",
"created_at": "2022-09-04T14:35:56.139555Z",
"updated_at": "2022-09-04T14:35:56.139574Z",
"structure_string": "Ca2 Ni6 P8 O28\n1.0\n6.798103 0.000000 -2.742950\n0.000000 7.598341 0.000000\n-0.000646 0.000000 9.429043\nCa Ni P O\n2 6 8 28\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ni\n0.184332 0.872500 0.524605 Ni\n0.000000 0.000000 0.000000 Ni\n0.815667 0.127500 0.475394 Ni\n0.184332 0.627500 0.024605 Ni\n0.815667 0.372500 0.975394 Ni\n0.595198 0.067843 0.702894 P\n0.404801 0.932157 0.297105 P\n0.595199 0.432157 0.202894 P\n0.404800 0.567842 0.797105 P\n0.119559 0.295179 0.808530 P\n0.119560 0.204821 0.308530 P\n0.880440 0.704821 0.191470 P\n0.880439 0.795179 0.691469 P\n0.972342 0.925275 0.612869 O\n0.027657 0.425275 0.887130 O\n0.027657 0.074725 0.387130 O\n0.972342 0.574725 0.112870 O\n0.008672 0.286499 0.634934 O\n0.991326 0.786499 0.865065 O\n0.830096 0.620891 0.605719 O\n0.388257 0.027181 0.695394 O\n0.169903 0.120891 0.894280 O\n0.169903 0.379109 0.394281 O\n0.830096 0.879109 0.105719 O\n0.273793 0.620400 0.629717 O\n0.726206 0.120401 0.870282 O\n0.726206 0.379599 0.370282 O\n0.273793 0.879599 0.129717 O\n0.619109 0.195648 0.586784 O\n0.008673 0.213501 0.134934 O\n0.380890 0.695648 0.913215 O\n0.619109 0.304351 0.086785 O\n0.672790 0.878017 0.675391 O\n0.327209 0.378018 0.824608 O\n0.327209 0.121982 0.324609 O\n0.672790 0.621982 0.175391 O\n0.388257 0.472819 0.195394 O\n0.611742 0.972819 0.304605 O\n0.611742 0.527181 0.804605 O\n0.380890 0.804351 0.413215 O\n0.991327 0.713501 0.365066 O\n",
"nsites": 44,
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"elements": [
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"P",
"O"
],
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"density": 3.846188799016737,
"density_atomic": 0.09034217569784588,
"volume": 487.0371967480648,
"volume_molar": 6.665923986756047,
"formula_full": "Ca2 Ni6 P8 O28",
"formula_reduced": "CaNi3(P2O7)2",
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{
"id": "jvasp-98785",
"created_at": "2022-09-04T14:35:56.194789Z",
"updated_at": "2022-09-04T14:35:56.194812Z",
"structure_string": "K8 C4 S8 O24 F8\n1.0\n6.029271 0.000000 0.000000\n0.000000 9.218072 -3.633318\n0.000000 -0.439237 14.356431\nK C S O F\n8 4 8 24 8\ndirect\n0.281402 0.954490 0.664116 K\n0.269648 0.718221 0.333540 K\n0.730352 0.281778 0.666460 K\n0.769648 0.281778 0.166460 K\n0.218598 0.954490 0.164116 K\n0.230352 0.718221 0.833540 K\n0.718598 0.045509 0.335883 K\n0.781402 0.045509 0.835883 K\n0.299059 0.316646 0.461594 C\n0.700941 0.683353 0.538406 C\n0.200941 0.316646 0.961594 C\n0.799059 0.683354 0.038406 C\n0.711587 0.852902 0.019882 S\n0.288412 0.147097 0.980117 S\n0.749414 0.694897 0.170250 S\n0.788412 0.852902 0.519882 S\n0.250585 0.305102 0.829749 S\n0.249415 0.305102 0.329749 S\n0.750585 0.694897 0.670250 S\n0.211588 0.147097 0.480117 S\n0.026600 0.834516 0.500832 O\n0.436625 0.214735 0.273304 O\n0.563375 0.785265 0.726696 O\n0.269914 0.026820 0.383869 O\n0.230085 0.026820 0.883869 O\n0.063375 0.214734 0.773304 O\n0.749191 0.545580 0.664924 O\n0.750809 0.545580 0.164924 O\n0.250809 0.454420 0.335075 O\n0.473400 0.834516 0.000832 O\n0.526600 0.165484 0.999167 O\n0.534449 0.769674 0.197758 O\n0.034449 0.230326 0.302242 O\n0.730085 0.973180 0.616130 O\n0.965551 0.769673 0.697758 O\n0.249191 0.454420 0.835075 O\n0.936624 0.785265 0.226696 O\n0.973400 0.165484 0.499168 O\n0.769914 0.973180 0.116130 O\n0.156436 0.152675 0.066762 O\n0.843564 0.847324 0.933237 O\n0.343564 0.152675 0.566762 O\n0.465551 0.230326 0.802242 O\n0.656436 0.847324 0.433237 O\n0.975083 0.333359 0.979668 F\n0.524917 0.333359 0.479668 F\n0.804547 0.564378 0.468512 F\n0.024917 0.666641 0.020332 F\n0.195453 0.435622 0.531487 F\n0.304547 0.435622 0.031487 F\n0.695453 0.564377 0.968512 F\n0.475083 0.666641 0.520332 F\n",
"nsites": 52,
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"elements": [
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],
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"formula_full": "K8 C4 S8 O24 F8",
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{
"id": "jvasp-89888",
"created_at": "2022-09-04T14:35:56.220255Z",
"updated_at": "2022-09-04T14:35:56.220286Z",
"structure_string": "Li8 P8\n1.0\n4.942302 0.000000 0.000000\n0.000000 5.577266 -0.465842\n0.000000 -0.013276 9.072785\nLi P\n8 8\ndirect\n0.389348 0.112301 0.329316 Li\n0.889348 0.387699 0.170684 Li\n0.610651 0.887699 0.670684 Li\n0.110652 0.612301 0.829315 Li\n0.658925 0.806031 0.030739 Li\n0.158926 0.693970 0.469261 Li\n0.341074 0.193969 0.969261 Li\n0.841074 0.306030 0.530738 Li\n0.897202 0.979671 0.293757 P\n0.397202 0.520329 0.206243 P\n0.102798 0.020329 0.706243 P\n0.602798 0.479671 0.793757 P\n0.157284 0.808237 0.109808 P\n0.657284 0.691764 0.390192 P\n0.842715 0.191763 0.890192 P\n0.342716 0.308236 0.609807 P\n",
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"density_atomic": 0.06398553544855115,
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"volume_molar": 9.411722067782371,
"formula_full": "Li8 P8",
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"spacegroup": 14
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{
"id": "jvasp-88159",
"created_at": "2022-09-04T14:35:56.535629Z",
"updated_at": "2022-09-04T14:35:56.535657Z",
"structure_string": "Sr4 Li4 Co4 F24\n1.0\n5.202844 0.000000 -0.184147\n0.000000 8.663208 0.000000\n0.028578 0.000000 10.249571\nSr Li Co F\n4 4 4 24\ndirect\n0.253280 0.283541 0.500287 Sr\n0.746719 0.783541 -0.000287 Sr\n0.253280 0.216459 0.000287 Sr\n0.746720 0.716459 0.499713 Sr\n0.284290 0.918701 0.740088 Li\n0.715710 0.418701 0.759912 Li\n0.715710 0.081299 0.259912 Li\n0.284289 0.581299 0.240088 Li\n0.783361 0.418043 0.251684 Co\n0.216639 0.918043 0.248316 Co\n0.783361 0.081957 0.751684 Co\n0.216639 0.581957 0.748316 Co\n0.072139 0.092563 0.649546 F\n0.491118 0.547258 0.638263 F\n0.391676 0.774943 0.351225 F\n0.508881 0.452742 0.361737 F\n0.009587 0.456542 0.639448 F\n0.072139 0.407437 0.149546 F\n0.608323 0.225057 0.648774 F\n0.009587 0.043458 0.139448 F\n0.363902 0.421542 0.847116 F\n0.990412 0.543458 0.360551 F\n0.879637 0.249553 0.354967 F\n0.636097 0.578458 0.152884 F\n0.990412 0.956542 0.860551 F\n0.491118 0.952742 0.138263 F\n0.636098 0.921542 0.652884 F\n0.363902 0.078458 0.347116 F\n0.120363 0.750448 0.645033 F\n0.508882 0.047258 0.861737 F\n0.879637 0.250448 0.854967 F\n0.927861 0.907437 0.350454 F\n0.120363 0.749553 0.145033 F\n0.391677 0.725058 0.851225 F\n0.927861 0.592564 0.850454 F\n0.608323 0.274943 0.148774 F\n",
"nsites": 36,
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"elements": [
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"F"
],
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"density_atomic": 0.07791739247045515,
"volume": 462.0277817131848,
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"formula_full": "Sr4 Li4 Co4 F24",
"formula_reduced": "SrLiCoF6",
"formula_anonymous": "ABCD6",
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},
{
"id": "jvasp-62041",
"created_at": "2022-09-04T14:35:56.342881Z",
"updated_at": "2022-09-04T14:35:56.342911Z",
"structure_string": "Li4 Al4 H16\n1.0\n0.000000 4.837978 0.034786\n7.832046 0.000000 0.000000\n0.000000 -2.935720 -7.187804\nLi Al H\n4 4 16\ndirect\n0.579757 0.536967 0.829382 Li\n0.420242 0.036967 0.670617 Li\n0.420242 0.463033 0.170617 Li\n0.579757 0.963034 0.329382 Li\n0.145359 0.799339 0.931983 Al\n0.854641 0.299339 0.568016 Al\n0.854641 0.200662 0.068016 Al\n0.145359 0.700662 0.431983 Al\n0.197648 0.234927 0.626189 H\n0.802351 0.734927 0.873810 H\n0.248470 0.578750 0.615659 H\n0.751529 0.078750 0.884340 H\n0.751529 0.421250 0.384340 H\n0.248471 0.921250 0.115659 H\n0.366666 0.868995 0.480633 H\n0.177071 0.597892 0.258177 H\n0.633334 0.131006 0.519366 H\n0.366665 0.631006 0.980633 H\n0.197648 0.265074 0.126189 H\n0.822928 0.097891 0.241822 H\n0.822928 0.402109 0.741821 H\n0.177071 0.902109 0.758177 H\n0.633334 0.368994 0.019366 H\n0.802351 0.765074 0.373810 H\n",
"nsites": 24,
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"elements": [
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],
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"density": 0.9283505121978224,
"density_atomic": 0.08837983048916724,
"volume": 271.5551712100386,
"volume_molar": 6.8139311047198,
"formula_full": "Li4 Al4 H16",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-98363",
"created_at": "2022-09-04T14:35:56.427443Z",
"updated_at": "2022-09-04T14:35:56.427474Z",
"structure_string": "Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 3.943939074411832,
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"volume": 573.4283642765845,
"volume_molar": 11.510887751500489,
"formula_full": "Rb12 Si4 O14",
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{
"id": "jvasp-97342",
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