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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=137",
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"results": [
{
"id": "jvasp-36847",
"created_at": "2022-09-04T14:37:47.696903Z",
"updated_at": "2022-09-04T14:37:47.696931Z",
"structure_string": "Pb2 Au2 O4\n1.0\n3.672459 0.017274 0.004696\n0.090895 5.581135 0.064695\n0.896138 0.287230 6.831997\nPb Au O\n2 2 4\ndirect\n0.325393 0.507463 0.257028 Pb\n0.674609 0.492537 0.742974 Pb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.217337 0.311320 0.564053 O\n0.886784 0.179878 0.248510 O\n0.113217 0.820122 0.751492 O\n0.782665 0.688680 0.435949 O\n",
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{
"id": "jvasp-22884",
"created_at": "2022-09-04T14:37:48.308782Z",
"updated_at": "2022-09-04T14:37:48.308805Z",
"structure_string": "Tb8 Si8 O28\n1.0\n6.672560 0.003410 0.016929\n-0.213838 6.688071 -0.005239\n-0.225415 -0.914834 12.073480\nTb Si O\n8 8 28\ndirect\n0.675724 0.173114 0.890618 Tb\n0.324276 0.826887 0.109382 Tb\n0.370485 0.220626 0.632579 Tb\n0.629516 0.779374 0.367421 Tb\n0.882786 0.909684 0.640295 Tb\n0.117215 0.090317 0.359705 Tb\n0.951007 0.673151 0.884110 Tb\n0.048994 0.326849 0.115890 Tb\n0.843621 0.850446 0.115839 Si\n0.510875 0.333359 0.173918 Si\n0.489125 0.666642 0.826082 Si\n0.156379 0.149554 0.884161 Si\n0.376264 0.725561 0.595736 Si\n0.857314 0.375071 0.618223 Si\n0.142687 0.624930 0.381777 Si\n0.623737 0.274440 0.404264 Si\n0.713500 0.427607 0.509586 O\n0.354283 0.488155 0.125239 O\n0.645718 0.511846 0.874761 O\n0.379320 0.138757 0.212260 O\n0.620680 0.861244 0.787740 O\n0.301535 0.709502 0.907494 O\n0.600012 0.430890 0.303930 O\n0.399988 0.569111 0.696070 O\n0.416300 0.171606 0.446348 O\n0.583700 0.828394 0.553652 O\n0.286500 0.572393 0.490414 O\n0.698465 0.290499 0.092506 O\n0.713619 0.219767 0.686007 O\n0.648708 0.789877 0.185587 O\n0.037856 0.228519 0.572973 O\n0.962144 0.771482 0.427027 O\n0.928527 0.583288 0.687405 O\n0.071473 0.416712 0.312595 O\n0.770367 0.914688 0.995060 O\n0.229634 0.085312 0.004940 O\n0.773408 0.094162 0.376476 O\n0.351292 0.210123 0.814413 O\n-0.002028 0.664806 0.082376 O\n0.002029 0.335194 0.917624 O\n0.998023 0.011454 0.186059 O\n0.001977 0.988546 0.813941 O\n0.286381 0.780234 0.313993 O\n0.226593 0.905838 0.623524 O\n",
"nsites": 44,
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"elements": [
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"density": 5.991431565427431,
"density_atomic": 0.08166242713218771,
"volume": 538.8034809298136,
"volume_molar": 7.374432736675712,
"formula_full": "Tb8 Si8 O28",
"formula_reduced": "Tb2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5486825909090904,
"spacegroup": 2
},
{
"id": "jvasp-57074",
"created_at": "2022-09-04T14:37:48.542861Z",
"updated_at": "2022-09-04T14:37:48.542880Z",
"structure_string": "Na2 Pr2 Se4 O16\n1.0\n-6.663530 -0.042739 -0.033413\n-0.073578 -7.176486 0.049755\n0.941813 1.133498 7.219169\nNa Pr Se O\n2 2 4 16\ndirect\n0.075977 0.686634 0.278959 Na\n0.924024 0.313366 0.721042 Na\n0.643190 0.806869 0.801602 Pr\n0.356811 0.193132 0.198399 Pr\n0.133292 0.815280 0.783536 Se\n0.422988 0.288697 0.711371 Se\n0.577013 0.711304 0.288630 Se\n0.866709 0.184720 0.216465 Se\n0.257787 0.743594 0.604797 O\n0.267407 0.305990 0.517045 O\n0.278575 0.287123 0.879667 O\n0.558855 0.094180 0.678146 O\n0.994811 0.647064 0.843638 O\n0.324504 0.887922 0.953334 O\n0.589344 0.466234 0.764831 O\n0.410657 0.533767 0.235170 O\n0.037448 0.013766 0.240715 O\n0.675497 0.112079 0.046667 O\n0.721426 0.712878 0.120334 O\n0.962553 0.986234 0.759286 O\n0.742214 0.256407 0.395204 O\n0.441146 0.905821 0.321855 O\n0.005190 0.352937 0.156363 O\n0.732594 0.694011 0.482956 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.06949391442645737,
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"formula_full": "Na2 Pr2 Se4 O16",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 2
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{
"id": "jvasp-25722",
"created_at": "2022-09-04T14:37:50.084379Z",
"updated_at": "2022-09-04T14:37:50.084390Z",
"structure_string": "K4 Sn2 Au4 S8\n1.0\n7.265704 -0.074557 -0.017080\n3.024454 7.640471 -0.002826\n1.199169 2.596330 8.764951\nK Sn Au S\n4 2 4 8\ndirect\n0.777077 0.819395 0.424252 K\n0.222922 0.180605 0.575748 K\n0.027101 0.258747 0.080365 K\n0.972898 0.741252 0.919634 K\n0.627088 0.274162 0.807594 Sn\n0.372911 0.725837 0.192406 Sn\n0.742272 0.330678 0.420582 Au\n0.473248 0.276161 0.173248 Au\n0.526752 0.723839 0.826751 Au\n0.257727 0.669322 0.579417 Au\n0.232415 0.916873 0.366418 S\n0.728571 0.587667 0.220270 S\n0.767585 0.083126 0.633582 S\n0.283374 0.928686 0.934079 S\n0.213172 0.494658 0.254014 S\n0.271429 0.412333 0.779730 S\n0.716625 0.071314 0.065921 S\n0.786828 0.505342 0.745985 S\n",
"nsites": 18,
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"density": 4.887568775478058,
"density_atomic": 0.03683809496152702,
"volume": 488.6246158711205,
"volume_molar": 16.347590086537878,
"formula_full": "K4 Sn2 Au4 S8",
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"formula_anonymous": "AB2C2D4",
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},
{
"id": "jvasp-12289",
"created_at": "2022-09-04T14:37:50.278970Z",
"updated_at": "2022-09-04T14:37:50.278996Z",
"structure_string": "Na8 Pb2 O8\n1.0\n5.978480 0.003470 0.008175\n2.153398 5.572148 0.017970\n2.950094 0.099350 8.547336\nNa Pb O\n8 2 8\ndirect\n0.748949 0.750634 0.995072 Na\n0.251051 0.249366 0.004928 Na\n0.436500 0.254056 0.591435 Na\n0.563500 0.745944 0.408565 Na\n0.020176 0.264180 0.430724 Na\n0.979823 0.735820 0.569276 Na\n0.887345 0.277563 0.793607 Na\n0.112655 0.722437 0.206392 Na\n0.661067 0.274304 0.228420 Pb\n0.338932 0.725697 0.771580 Pb\n0.114266 0.509834 0.804177 O\n0.885734 0.490166 0.195823 O\n0.313845 0.486184 0.378334 O\n0.686155 0.513816 0.621665 O\n0.199054 0.992168 0.613586 O\n0.800946 0.007832 0.386413 O\n0.347874 0.842625 0.975360 O\n0.652126 0.157375 0.024640 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.06326217714608846,
"volume": 284.5302013307797,
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"formula_full": "Na8 Pb2 O8",
"formula_reduced": "Na4PbO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-9666",
"created_at": "2022-09-04T14:37:50.332455Z",
"updated_at": "2022-09-04T14:37:50.332465Z",
"structure_string": "Ti4 Zn4 O8\n1.0\n2.896350 0.159485 -0.004940\n-1.021061 7.500881 -0.126574\n-1.507202 -1.015844 8.328503\nTi Zn O\n4 4 8\ndirect\n0.102832 0.708234 0.587557 Ti\n0.358599 0.565968 0.252425 Ti\n0.665478 0.454117 0.775777 Ti\n0.921290 0.311842 0.440651 Ti\n0.795720 0.937213 0.296888 Zn\n0.228276 0.082864 0.731294 Zn\n0.383632 0.157744 0.066999 Zn\n0.640215 0.862359 0.961204 Zn\n0.499183 0.258383 0.597803 O\n0.226625 0.638821 0.815778 O\n0.797471 0.381262 0.212428 O\n0.524946 0.761685 0.430406 O\n0.696351 0.897395 0.713941 O\n0.837994 0.710119 0.152148 O\n0.327689 0.122681 0.314263 O\n0.186097 0.309975 0.876054 O\n",
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"density": 5.3050197025747945,
"density_atomic": 0.08796453450844645,
"volume": 181.8914871704762,
"volume_molar": 6.846100867414637,
"formula_full": "Ti4 Zn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
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{
"id": "jvasp-8194",
"created_at": "2022-09-04T14:37:50.392661Z",
"updated_at": "2022-09-04T14:37:50.392683Z",
"structure_string": "Ca2 P6\n1.0\n5.604255 -0.010142 0.001294\n1.478251 5.427305 -0.006113\n1.022475 1.720260 5.320786\nCa P\n2 6\ndirect\n0.676897 0.642805 0.645037 Ca\n0.323102 0.357196 0.354964 Ca\n0.597565 0.797266 0.100485 P\n0.402434 0.202735 0.899516 P\n0.002887 0.202197 0.997434 P\n0.997112 0.797804 0.002567 P\n0.129485 0.821178 0.603549 P\n0.870514 0.178824 0.396452 P\n",
"nsites": 8,
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"density_atomic": 0.049391279635130535,
"volume": 161.9719120277629,
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"formula_full": "Ca2 P6",
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},
{
"id": "jvasp-30177",
"created_at": "2022-09-04T14:37:50.470282Z",
"updated_at": "2022-09-04T14:37:50.470297Z",
"structure_string": "Nb4 O4 F12\n1.0\n8.851324 -0.229145 -0.452727\n-2.445005 4.685080 -0.098623\n-1.611903 -2.082249 7.642002\nNb O F\n4 4 12\ndirect\n0.210123 0.529329 0.514573 Nb\n0.367184 0.372440 0.135927 Nb\n0.632816 0.627561 0.864073 Nb\n0.789878 0.470672 0.485427 Nb\n0.391546 0.561397 0.699126 O\n0.320827 0.529234 0.321664 O\n0.679174 0.470767 0.678336 O\n0.608455 0.438603 0.300874 O\n0.951636 0.891165 0.620483 F\n0.698485 0.053287 0.467675 F\n0.247941 0.953991 0.114627 F\n0.459586 0.245020 0.917636 F\n0.540415 0.754981 0.082364 F\n0.173656 0.320551 0.943339 F\n0.301516 0.946714 0.532324 F\n0.048364 0.108836 0.379517 F\n0.826345 0.679450 0.056661 F\n0.050712 0.510336 0.658750 F\n0.752060 0.046010 0.885373 F\n0.949289 0.489665 0.341250 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.612351041063443,
"density_atomic": 0.06556346198954302,
"volume": 305.04795495988117,
"volume_molar": 9.185208616592723,
"formula_full": "Nb4 O4 F12",
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"formula_anonymous": "ABC3",
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"spacegroup": 2
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{
"id": "jvasp-29341",
"created_at": "2022-09-04T14:37:50.581511Z",
"updated_at": "2022-09-04T14:37:50.581529Z",
"structure_string": "Bi4 Au4 Br24\n1.0\n7.266249 -0.009382 -0.544875\n-3.839038 9.580459 -2.790226\n-0.006312 -0.099484 14.532175\nBi Au Br\n4 4 24\ndirect\n0.590789 0.921489 0.620164 Bi\n0.409212 0.078512 0.379837 Bi\n0.977141 0.312427 0.869749 Bi\n0.022859 0.687573 0.130252 Bi\n0.299778 0.635096 0.765486 Au\n0.700223 0.364905 0.234515 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.243941 0.895389 0.030530 Br\n0.734286 0.800164 0.025059 Br\n0.265714 0.199836 0.974941 Br\n0.590053 0.184694 0.738838 Br\n0.759700 0.046573 0.482920 Br\n0.993929 0.057903 0.723948 Br\n0.006071 0.942097 0.276053 Br\n0.756060 0.104611 0.969470 Br\n0.240300 0.953428 0.517080 Br\n0.409948 0.815306 0.261163 Br\n0.214415 0.285822 0.489717 Br\n0.654887 0.581828 0.227853 Br\n0.275998 0.627292 0.493156 Br\n0.724002 0.372709 0.506844 Br\n0.727387 0.436857 0.978518 Br\n0.345113 0.418173 0.772148 Br\n0.049503 0.467723 0.218512 Br\n0.950497 0.532278 0.781488 Br\n0.752646 0.154477 0.249506 Br\n0.247355 0.845523 0.750494 Br\n0.350535 0.258176 0.247748 Br\n0.649466 0.741825 0.752252 Br\n0.785586 0.714179 0.510283 Br\n0.272613 0.563144 0.021482 Br\n",
"nsites": 32,
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"elements": [
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"Br"
],
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"density": 5.829119217938623,
"density_atomic": 0.0317189315471026,
"volume": 1008.8612207028478,
"volume_molar": 18.985950869931177,
"formula_full": "Bi4 Au4 Br24",
"formula_reduced": "BiAuBr6",
"formula_anonymous": "ABC6",
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"spacegroup": 2
},
{
"id": "jvasp-31883",
"created_at": "2022-09-04T14:37:50.579102Z",
"updated_at": "2022-09-04T14:37:50.579128Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.340963 -0.032990 -0.251236\n-2.179373 4.953289 -1.379369\n0.063296 0.154975 8.764459\nCr B H\n1 6 16\ndirect\n0.000001 0.500001 0.500000 Cr\n0.314883 0.615816 0.293043 B\n0.685118 0.384185 0.706957 B\n0.102300 0.323574 0.123436 B\n0.267549 0.298593 0.310588 B\n0.897701 0.676427 0.876564 B\n0.732452 0.701408 0.689412 B\n0.117343 0.108686 0.186553 H\n0.925256 0.796405 0.595934 H\n0.074745 0.203597 0.404066 H\n0.801255 0.241754 0.092843 H\n0.744430 0.702275 0.984992 H\n0.198746 0.758247 0.907157 H\n0.191629 0.609115 0.157416 H\n0.882658 0.891315 0.813447 H\n0.469767 0.724175 0.660104 H\n0.808372 0.390887 0.842584 H\n0.142956 0.722656 0.372713 H\n0.530235 0.275826 0.339896 H\n0.397634 0.223976 0.685645 H\n0.255572 0.297726 0.015008 H\n0.857045 0.277345 0.627287 H\n0.602367 0.776025 0.314355 H\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "B-Cr-H",
"density": 1.1689385940548815,
"density_atomic": 0.12174587592598698,
"volume": 188.91810359130685,
"volume_molar": 4.946484399735267,
"formula_full": "Cr1 B6 H16",
"formula_reduced": "Cr(B3H8)2",
"formula_anonymous": "AB6C16",
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{
"id": "jvasp-32381",
"created_at": "2022-09-04T14:37:50.700579Z",
"updated_at": "2022-09-04T14:37:50.700595Z",
"structure_string": "Ta2 Te2 Cl18\n1.0\n6.069694 -0.000347 1.759662\n-0.620141 8.873640 2.563425\n-0.008578 0.106373 11.175673\nTa Te Cl\n2 2 18\ndirect\n0.416411 0.742786 0.703720 Ta\n0.583588 0.257213 0.296280 Ta\n0.131716 0.677911 0.168068 Te\n0.868283 0.322088 0.831932 Te\n0.099872 0.359775 0.619156 Cl\n0.900127 0.640225 0.380844 Cl\n0.120948 0.194528 0.937518 Cl\n0.879051 0.805471 0.062481 Cl\n0.231413 0.145238 0.391816 Cl\n0.768586 0.854762 0.608184 Cl\n0.515996 0.302691 0.083561 Cl\n0.484003 0.697309 0.916439 Cl\n0.052518 0.607659 0.829694 Cl\n0.313927 0.901854 0.165467 Cl\n0.745986 0.037899 0.277944 Cl\n0.254013 0.962101 0.722056 Cl\n0.452098 0.508339 0.294477 Cl\n0.547902 0.491660 0.705522 Cl\n0.659944 0.246000 0.488189 Cl\n0.340056 0.753999 0.511810 Cl\n0.947481 0.392341 0.170305 Cl\n0.686072 0.098146 0.834532 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.472334588274986,
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"volume": 600.2852581829604,
"volume_molar": 16.43182873150332,
"formula_full": "Ta2 Te2 Cl18",
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"spacegroup": 2
},
{
"id": "jvasp-101977",
"created_at": "2022-09-04T14:37:51.074103Z",
"updated_at": "2022-09-04T14:37:51.074120Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.977387 -0.073103 -0.193621\n-0.907975 4.232406 -0.080124\n-0.199501 0.042410 12.963957\nH Pb C O\n12 1 8 4\ndirect\n0.492461 0.221651 0.544822 H\n0.056109 0.129802 0.577075 H\n0.028759 0.148230 0.163149 H\n0.599813 0.080143 0.200528 H\n0.403367 0.705009 0.453029 H\n0.256245 0.180788 0.353365 H\n0.173917 0.672430 0.261871 H\n0.747195 0.604318 0.300194 H\n0.947298 0.655253 0.076474 H\n0.510986 0.563634 0.108758 H\n0.974394 0.636731 0.490386 H\n0.829489 0.112573 0.391663 H\n0.001636 0.892598 0.826785 Pb\n0.380417 0.528910 0.659790 C\n0.273819 0.326969 0.562037 C\n0.177921 0.515795 0.469693 C\n0.052775 0.303018 0.373485 C\n0.950604 0.482030 0.280062 C\n0.825331 0.269273 0.183857 C\n0.729510 0.458177 0.091523 C\n0.622712 0.256295 0.993769 C\n0.229462 0.439423 0.743080 O\n0.611096 0.784032 0.657892 O\n0.773438 0.345824 0.910446 O\n0.392057 0.001160 -0.004308 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.9000267155858284,
"density_atomic": 0.1150853963504576,
"volume": 217.22999435888545,
"volume_molar": 5.232758413292856,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5315569928,
"spacegroup": 2
}
]
}