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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4570",
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"results": [
{
"id": "jvasp-24604",
"created_at": "2022-09-04T14:37:16.275688Z",
"updated_at": "2022-09-04T14:37:16.275723Z",
"structure_string": "Na12 Ge4 S14\n1.0\n6.833827 -0.012987 -1.171823\n-1.182726 6.730716 -1.171823\n0.020151 0.023955 15.049671\nNa Ge S\n12 4 14\ndirect\n0.239719 0.028602 0.423933 Na\n0.760280 0.971398 0.576067 Na\n0.528602 0.739719 0.923933 Na\n0.450858 0.505305 0.361416 Na\n0.994695 0.049141 0.138584 Na\n0.549141 0.494695 0.638584 Na\n0.005304 0.950858 0.861416 Na\n0.921878 0.578121 0.250000 Na\n0.078121 0.421878 0.750000 Na\n-0.000000 0.500000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.471398 0.260281 0.076067 Na\n0.260366 0.925041 0.638172 Ge\n0.574959 0.239633 0.861829 Ge\n0.739634 0.074959 0.361829 Ge\n0.425041 0.760367 0.138172 Ge\n0.810901 0.791135 0.395875 S\n0.539926 0.960073 0.750000 S\n0.460074 0.039926 0.250000 S\n0.744324 0.496556 0.820516 S\n0.708864 0.689099 0.104125 S\n0.003443 0.755676 0.679484 S\n0.996557 0.244324 0.320516 S\n0.291135 0.310901 0.895875 S\n0.633439 0.261070 0.474439 S\n0.238929 0.866561 0.025561 S\n0.366561 0.738930 0.525561 S\n0.189098 0.208864 0.604125 S\n0.255676 0.503444 0.179484 S\n0.761070 0.133438 0.974439 S\n",
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{
"id": "jvasp-96869",
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"structure_string": "Np2 H32 C8 N16 Cl2 O12\n1.0\n5.017111 6.048917 -0.902909\n-5.017111 6.048917 0.902909\n-0.256975 0.000000 11.466099\nNp H C N Cl O\n2 32 8 16 2 12\ndirect\n0.781908 0.781908 0.250000 Np\n0.218092 0.218093 0.750000 Np\n0.590337 0.077498 0.441199 H\n0.710095 0.434612 0.864044 H\n0.434611 0.710095 0.635956 H\n0.289905 0.565389 0.135956 H\n0.565389 0.289906 0.364044 H\n0.530704 0.774678 0.007106 H\n0.774678 0.530704 0.492894 H\n0.469296 0.225323 0.992894 H\n0.225322 0.469297 0.507106 H\n0.498084 0.655992 0.888507 H\n0.655991 0.498085 0.611493 H\n0.501916 0.344009 0.111493 H\n0.344009 0.501916 0.388507 H\n0.077498 0.590337 0.058801 H\n0.409664 0.922503 0.558801 H\n0.922502 0.409664 0.941199 H\n0.637522 0.115858 0.690788 H\n0.824164 0.171741 0.150581 H\n0.828259 0.175836 0.650581 H\n0.175836 0.828260 0.849419 H\n0.362478 0.884143 0.309212 H\n0.884143 0.362478 0.190788 H\n0.007367 0.635731 0.606286 H\n0.171741 0.824165 0.349419 H\n0.115857 0.637523 0.809212 H\n0.021587 0.167541 0.495223 H\n0.832459 0.978413 0.995223 H\n0.978413 0.832460 0.504777 H\n0.364269 0.992634 0.106286 H\n0.992633 0.364270 0.393714 H\n0.635731 0.007367 0.893714 H\n0.167541 0.021587 0.004777 H\n0.263646 0.414201 0.004951 C\n0.585799 0.736355 0.504951 C\n0.414201 0.263646 0.495049 C\n0.736354 0.585800 0.995049 C\n0.914204 0.153812 0.327295 C\n0.846188 0.085797 0.827295 C\n0.153812 0.914204 0.172705 C\n0.085796 0.846188 0.672705 C\n0.320344 0.424330 0.460526 N\n0.424330 0.320344 0.039474 N\n0.575670 0.679656 0.960526 N\n0.543357 0.208098 0.434950 N\n0.208098 0.543357 0.065050 N\n0.456643 0.791903 0.565050 N\n0.791902 0.456644 0.934950 N\n0.679656 0.575671 0.539474 N\n0.762355 0.022440 0.912238 N\n0.977561 0.237645 0.412238 N\n0.237645 0.977561 0.087762 N\n0.123885 0.764794 0.786187 N\n0.764793 0.123885 0.713813 N\n0.876115 0.235207 0.213813 N\n0.235207 0.876116 0.286187 N\n0.022439 0.762356 0.587762 N\n0.547337 0.547337 0.250000 Cl\n0.452663 0.452664 0.750000 Cl\n0.614469 0.835955 0.414920 O\n0.835955 0.614469 0.085080 O\n0.109584 0.001813 0.644954 O\n0.001812 0.109584 0.855046 O\n0.890416 0.998188 0.355046 O\n0.949243 0.615406 0.353170 O\n0.384594 0.050758 0.853170 O\n0.050757 0.384595 0.646830 O\n0.615406 0.949243 0.146830 O\n0.164045 0.385532 0.914920 O\n0.998188 0.890417 0.144954 O\n0.385531 0.164046 0.585080 O\n",
"nsites": 72,
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"elements": [
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],
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"density": 2.609714490245819,
"density_atomic": 0.10387491477043573,
"volume": 693.1413629471609,
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"formula_full": "Np2 H32 C8 N16 Cl2 O12",
"formula_reduced": "NpH16C4N8ClO6",
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{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
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"elements": [
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],
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{
"id": "jvasp-62413",
"created_at": "2022-09-04T14:35:48.102331Z",
"updated_at": "2022-09-04T14:35:48.102354Z",
"structure_string": "Au4 C4 S8 Cl12\n1.0\n5.098832 7.514913 0.061753\n-5.098832 7.514913 0.061753\n0.000000 5.644359 9.095171\nAu C S Cl\n4 4 8 12\ndirect\n0.945366 0.710536 0.539312 Au\n0.289464 0.054634 0.960687 Au\n0.054634 0.289464 0.460687 Au\n0.710536 0.945366 0.039312 Au\n0.251650 0.697415 0.550406 C\n0.302585 0.748350 0.949593 C\n0.748350 0.302585 0.449593 C\n0.697415 0.251650 0.050406 C\n0.147413 0.835145 0.074554 S\n0.164855 0.852587 0.425445 S\n0.548465 0.138576 0.168270 S\n0.861424 0.451535 0.331729 S\n0.451535 0.861424 0.831729 S\n0.138576 0.548465 0.668270 S\n0.852587 0.164855 0.925445 S\n0.835145 0.147413 0.574554 S\n0.896876 0.787446 0.885484 Cl\n0.435834 0.692796 0.554695 Cl\n0.307204 0.564166 0.945304 Cl\n0.564166 0.307204 0.445304 Cl\n0.692796 0.435834 0.054695 Cl\n0.787446 0.896876 0.385484 Cl\n0.539022 0.750085 0.176986 Cl\n0.249915 0.460978 0.323014 Cl\n0.460978 0.249915 0.823013 Cl\n0.750085 0.539022 0.676986 Cl\n0.212554 0.103124 0.614515 Cl\n0.103124 0.212554 0.114515 Cl\n",
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{
"id": "jvasp-81236",
"created_at": "2022-09-04T14:37:18.576655Z",
"updated_at": "2022-09-04T14:37:18.576665Z",
"structure_string": "In2 Ir1 Rh1\n1.0\n-8.910068 0.000007 -5.144218\n-8.695615 0.068618 4.772774\n-5.900910 7.973234 -0.067794\nIn Ir Rh\n2 1 1\ndirect\n0.749178 -0.000000 0.000000 In\n0.250822 -0.000000 0.000000 In\n0.500000 -0.000000 0.000000 Ir\n-0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-98974",
"created_at": "2022-09-04T14:36:22.539058Z",
"updated_at": "2022-09-04T14:36:22.539080Z",
"structure_string": "K12 Co2 Se8\n1.0\n10.121915 0.000000 -0.000000\n-5.060958 8.765836 0.000000\n0.000000 0.000000 7.821748\nK Co Se\n12 2 8\ndirect\n0.146416 0.853584 0.547690 K\n0.473356 0.526644 0.864979 K\n0.526643 0.053288 0.364979 K\n0.473356 0.946713 0.864979 K\n0.053288 0.526644 0.864979 K\n0.526643 0.473357 0.364979 K\n0.946712 0.473357 0.364979 K\n0.707167 0.853584 0.547690 K\n0.146416 0.292833 0.547690 K\n0.853583 0.707168 0.047690 K\n0.292833 0.146416 0.047690 K\n0.853583 0.146416 0.047690 K\n0.333333 0.666667 0.250372 Co\n0.666667 0.333333 0.750372 Co\n0.603348 0.801674 0.151339 Se\n0.333333 0.666667 0.567307 Se\n0.666667 0.333333 0.067307 Se\n0.198326 0.801674 0.151339 Se\n0.396652 0.198327 0.651339 Se\n0.801673 0.603348 0.651339 Se\n0.198326 0.396652 0.151339 Se\n0.801673 0.198327 0.651339 Se\n",
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{
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"created_at": "2022-09-04T14:37:05.072991Z",
"updated_at": "2022-09-04T14:37:05.073016Z",
"structure_string": "K4 Au4 S20\n1.0\n7.507025 0.000000 3.308164\n2.398058 8.906969 4.729935\n-0.085470 0.052936 10.365662\nK Au S\n4 4 20\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 -0.000000 K\n0.250000 0.750000 0.750000 K\n0.750000 0.250000 0.250000 K\n0.250000 0.388403 0.111597 Au\n0.750000 0.611597 0.888403 Au\n0.750000 0.888403 0.611597 Au\n0.250000 0.111597 0.388403 Au\n0.559479 0.657373 0.342627 S\n0.059480 0.842627 0.157373 S\n0.940520 0.157373 0.842627 S\n0.440520 0.342628 0.657372 S\n0.147947 0.288334 0.005920 S\n0.942200 0.211666 0.494080 S\n0.183630 0.432717 0.780469 S\n0.852052 0.711666 0.994080 S\n0.057799 0.788334 0.505920 S\n0.647947 0.505920 0.788334 S\n0.442201 0.994081 0.711666 S\n0.396815 0.219531 0.567284 S\n0.683630 0.280470 0.932716 S\n0.103185 0.932716 0.280469 S\n0.816369 0.567284 0.219531 S\n0.603184 0.780469 0.432716 S\n0.316370 0.719531 0.067284 S\n0.896815 0.067284 0.719531 S\n0.557799 0.005920 0.288334 S\n0.352053 0.494081 0.211666 S\n",
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{
"id": "jvasp-12807",
"created_at": "2022-09-04T14:38:13.997305Z",
"updated_at": "2022-09-04T14:38:13.997316Z",
"structure_string": "Rb8 In4 S10\n1.0\n7.074328 -0.044914 2.594368\n-0.256271 8.948517 2.749740\n-0.079995 -0.037857 10.933792\nRb In S\n8 4 10\ndirect\n0.766610 0.473666 0.664058 Rb\n0.233391 0.526335 0.335942 Rb\n0.506320 0.790639 0.912057 Rb\n0.459110 0.816256 0.452509 Rb\n0.540891 0.183745 0.547491 Rb\n0.880101 0.818848 0.090111 Rb\n0.119900 0.181153 0.909889 Rb\n0.493682 0.209362 0.087943 Rb\n0.031216 -0.007070 0.341114 In\n0.123286 0.593134 0.827517 In\n0.876715 0.406866 0.172482 In\n0.968785 0.007071 0.658886 In\n0.729906 0.521068 0.351975 S\n0.735873 0.113519 0.819468 S\n0.270095 0.478933 0.648025 S\n0.219006 0.479573 0.038460 S\n0.178648 0.158553 0.429102 S\n0.821354 0.841448 0.570898 S\n0.199490 0.870668 0.768017 S\n0.800511 0.129332 0.231983 S\n0.780995 0.520428 0.961540 S\n0.264128 0.886482 0.180531 S\n",
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"elements": [
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"volume": 694.6636663841856,
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{
"id": "jvasp-99359",
"created_at": "2022-09-04T14:36:09.470952Z",
"updated_at": "2022-09-04T14:36:09.470978Z",
"structure_string": "P4 S4 N36\n1.0\n6.078145 0.000000 -0.814333\n0.000000 14.889876 0.000000\n-0.070760 0.000000 7.688457\nP S N\n4 4 36\ndirect\n0.082079 0.152038 0.890146 P\n0.917920 0.652038 0.609855 P\n0.917920 0.847962 0.109854 P\n0.082079 0.347962 0.390146 P\n0.281760 0.069023 0.019222 S\n0.718240 0.569023 0.480779 S\n0.718240 0.930978 0.980779 S\n0.281760 0.430978 0.519222 S\n0.333168 0.213289 0.462169 N\n0.470244 0.320158 0.055436 N\n0.529756 0.820158 0.444564 N\n0.529756 0.679842 0.944564 N\n0.470244 0.179842 0.555437 N\n0.840500 0.172910 0.968774 N\n0.159500 0.672910 0.531227 N\n0.187710 0.649952 0.382144 N\n0.840500 0.327090 0.468774 N\n0.812289 0.149952 0.117857 N\n0.666832 0.713289 0.037831 N\n0.187710 0.850048 0.882144 N\n0.812289 0.350048 0.617857 N\n0.768269 0.130462 0.251981 N\n0.231731 0.630462 0.248020 N\n0.159500 0.827090 0.031227 N\n0.666832 0.786711 0.537831 N\n0.814752 0.755269 0.646371 N\n0.185247 0.244731 0.353630 N\n0.983985 0.133648 0.676106 N\n0.016015 0.633648 0.823895 N\n0.016015 0.866352 0.323895 N\n0.983985 0.366352 0.176105 N\n0.874387 0.065629 0.632436 N\n0.125612 0.565629 0.867565 N\n0.125612 0.934371 0.367565 N\n0.874387 0.434371 0.132436 N\n0.773090 0.005203 0.577720 N\n0.226909 0.505203 0.922281 N\n0.226909 0.994797 0.422281 N\n0.773090 0.494797 0.077720 N\n0.185247 0.255269 0.853630 N\n0.231731 0.869539 0.748020 N\n0.814752 0.744731 0.146371 N\n0.333168 0.286711 0.962169 N\n0.768269 0.369538 0.751981 N\n",
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"elements": [
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"formula_full": "P4 S4 N36",
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},
{
"id": "jvasp-56505",
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