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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=62",
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"results": [
{
"id": "jvasp-97634",
"created_at": "2022-09-04T14:35:58.668005Z",
"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
"nsites": 30,
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],
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"density_atomic": 0.040016248853057976,
"volume": 749.6954577167332,
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"formula_full": "Ta2 P8 S10 Cl10",
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{
"id": "jvasp-101372",
"created_at": "2022-09-04T14:36:31.669246Z",
"updated_at": "2022-09-04T14:36:31.669271Z",
"structure_string": "Rb4 Er4 Se4 Cl8 O12\n1.0\n6.511818 0.000000 -0.815699\n0.000000 6.926431 0.000000\n-0.012108 0.000000 16.615293\nRb Er Se Cl O\n4 4 4 8 12\ndirect\n0.177675 0.198958 0.940092 Rb\n0.677676 0.301042 0.440092 Rb\n0.822325 0.801042 0.059908 Rb\n0.322325 0.698958 0.559907 Rb\n0.876647 0.653257 0.740402 Er\n0.623353 0.153257 0.759598 Er\n0.123353 0.346743 0.259598 Er\n0.376647 0.846743 0.240402 Er\n0.923590 0.841232 0.297518 Se\n0.423589 0.658768 0.797518 Se\n0.576411 0.341232 0.202482 Se\n0.076410 0.158768 0.702482 Se\n0.674362 0.135681 0.918766 Cl\n0.493494 0.162211 0.604020 Cl\n0.993494 0.337789 0.104020 Cl\n0.006506 0.662211 0.895979 Cl\n0.325638 0.864319 0.081234 Cl\n0.825638 0.635681 0.581233 Cl\n0.506506 0.837789 0.395979 Cl\n0.174362 0.364319 0.418766 Cl\n0.423674 0.169768 0.243251 O\n0.716838 0.851633 0.225295 O\n0.919713 0.975948 0.732208 O\n0.419713 0.524051 0.232208 O\n0.923674 0.330232 0.743251 O\n0.576326 0.830232 0.756749 O\n0.080287 0.024051 0.267792 O\n0.216837 0.648367 0.725295 O\n0.076326 0.669768 0.256749 O\n0.580287 0.475949 0.767792 O\n0.283162 0.148367 0.774705 O\n0.783163 0.351633 0.274705 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Cl-Er-O-Rb-Se",
"density": 3.9940314217137,
"density_atomic": 0.042704127565326246,
"volume": 749.3420852831683,
"volume_molar": 14.102010984272388,
"formula_full": "Rb4 Er4 Se4 Cl8 O12",
"formula_reduced": "RbErSeCl2O3",
"formula_anonymous": "ABCD2E3",
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"spacegroup": 14
},
{
"id": "jvasp-5509",
"created_at": "2022-09-04T14:36:10.192765Z",
"updated_at": "2022-09-04T14:36:10.192790Z",
"structure_string": "Ga8 Br16\n1.0\n7.544973 0.000000 0.000000\n0.000000 9.914748 0.000000\n0.000000 0.000000 10.011802\nGa Br\n8 16\ndirect\n0.750000 0.000000 0.679309 Ga\n0.750000 0.500000 0.820690 Ga\n0.250000 0.000000 0.320690 Ga\n0.250000 0.500000 0.179310 Ga\n0.157125 0.250000 0.750000 Ga\n0.342875 0.750000 0.750000 Ga\n0.842875 0.750000 0.250000 Ga\n0.657125 0.250000 0.250000 Ga\n0.498489 0.545384 0.316752 Br\n0.498489 0.954617 0.183248 Br\n-0.001511 0.954617 0.816752 Br\n-0.001511 0.545384 0.683248 Br\n0.501511 0.454617 0.683248 Br\n0.501511 0.045384 0.816752 Br\n0.337390 0.185942 0.452619 Br\n0.662610 0.814058 0.547381 Br\n0.162610 0.685943 0.047381 Br\n0.162610 0.814058 0.452619 Br\n0.001511 0.454617 0.316752 Br\n0.662610 0.685943 0.952619 Br\n0.837390 0.314058 0.952619 Br\n0.837390 0.185942 0.547381 Br\n0.337390 0.314058 0.047381 Br\n0.001511 0.045384 0.183248 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Ga",
"density": 4.071259741976256,
"density_atomic": 0.032044951547078725,
"volume": 748.9479260014011,
"volume_molar": 18.792790967877092,
"formula_full": "Ga8 Br16",
"formula_reduced": "GaBr2",
"formula_anonymous": "AB2",
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"spacegroup": 52
},
{
"id": "jvasp-56803",
"created_at": "2022-09-04T14:37:07.967475Z",
"updated_at": "2022-09-04T14:37:07.967491Z",
"structure_string": "Ba6 Fe6 Se14\n1.0\n5.514801 -9.551917 -0.000000\n5.514801 9.551917 -0.000000\n0.000000 -0.000000 7.103052\nBa Fe Se\n6 6 14\ndirect\n0.814473 0.628946 0.491850 Ba\n0.185527 0.371054 0.991850 Ba\n0.628946 0.814473 0.991850 Ba\n0.185527 0.814473 0.991850 Ba\n0.371054 0.185527 0.491850 Ba\n0.814473 0.185527 0.491850 Ba\n0.744744 0.255256 0.009702 Fe\n0.744744 0.489487 0.009702 Fe\n0.255256 0.510512 0.509702 Fe\n0.489487 0.744744 0.509702 Fe\n0.510512 0.255256 0.009702 Fe\n0.255256 0.744744 0.509702 Fe\n0.543615 0.456384 0.182742 Se\n0.543616 0.087232 0.182742 Se\n0.863671 0.727343 0.936484 Se\n0.727343 0.863671 0.436484 Se\n0.912768 0.456384 0.182742 Se\n0.272657 0.136328 0.936484 Se\n0.136328 0.272657 0.436484 Se\n0.333333 0.666667 0.240165 Se\n0.666667 0.333333 0.740165 Se\n0.136328 0.863672 0.436484 Se\n0.456384 0.543615 0.682742 Se\n0.456384 0.912768 0.682742 Se\n0.087232 0.543616 0.682742 Se\n0.863672 0.136328 0.936484 Se\n",
"nsites": 26,
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"elements": [
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"Fe",
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],
"chemical_system": "Ba-Fe-Se",
"density": 5.024821944312849,
"density_atomic": 0.03474385249096476,
"volume": 748.3338241423105,
"volume_molar": 17.33296778636185,
"formula_full": "Ba6 Fe6 Se14",
"formula_reduced": "Ba3Fe3Se7",
"formula_anonymous": "A3B3C7",
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"spacegroup": 186
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{
"id": "jvasp-14047",
"created_at": "2022-09-04T14:37:07.249871Z",
"updated_at": "2022-09-04T14:37:07.249886Z",
"structure_string": "Rb6 Mo4 Cl18\n1.0\n3.538466 -6.128803 0.000000\n3.538466 6.128803 -0.000000\n0.000000 0.000000 17.249936\nRb Mo Cl\n6 4 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333334 0.666668 0.928426 Rb\n0.666668 0.333334 0.428426 Rb\n0.333334 0.666668 0.571574 Rb\n0.666668 0.333334 0.071574 Rb\n0.333334 0.666668 0.330163 Mo\n0.666668 0.333334 0.830163 Mo\n0.333334 0.666668 0.169837 Mo\n0.666668 0.333334 0.669837 Mo\n0.656040 0.828020 0.409411 Cl\n0.502673 0.497328 0.250000 Cl\n0.497328 -0.005344 0.750000 Cl\n0.005345 0.502673 0.750000 Cl\n-0.005344 0.497328 0.250000 Cl\n0.502673 0.005345 0.250000 Cl\n0.497328 0.502673 0.750000 Cl\n0.343962 0.171981 0.909411 Cl\n0.656040 0.828020 0.090589 Cl\n0.171981 0.828020 0.090589 Cl\n0.171981 0.343962 0.090589 Cl\n0.171981 0.828020 0.409411 Cl\n0.828020 0.171981 0.909411 Cl\n0.343962 0.171981 0.590589 Cl\n0.828020 0.171981 0.590589 Cl\n0.828020 0.656040 0.590589 Cl\n0.828020 0.656040 0.909411 Cl\n0.171981 0.343962 0.409411 Cl\n",
"nsites": 28,
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"elements": [
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],
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"volume": 748.1835798690184,
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"formula_full": "Rb6 Mo4 Cl18",
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{
"id": "jvasp-97877",
"created_at": "2022-09-04T14:36:16.593682Z",
"updated_at": "2022-09-04T14:36:16.593708Z",
"structure_string": "Ca8 P12 O38\n1.0\n6.770229 0.012847 -1.182146\n-0.816717 8.613245 -3.067863\n-0.032167 0.004632 12.829987\nCa P O\n8 12 38\ndirect\n0.810872 0.991017 0.365319 Ca\n0.645211 0.126664 0.878682 Ca\n0.354788 0.873337 0.121318 Ca\n0.903462 0.351101 0.665760 Ca\n0.973649 0.814826 0.851649 Ca\n0.096537 0.648900 0.334240 Ca\n0.026350 0.185174 0.148351 Ca\n0.189127 0.008984 0.634681 Ca\n0.534635 0.241998 0.150785 P\n0.465365 0.758003 0.849216 P\n0.376598 0.332278 0.583833 P\n0.274623 0.051785 0.375581 P\n0.203663 0.630676 0.619707 P\n0.715298 0.535786 0.908502 P\n0.623401 0.667723 0.416167 P\n0.725376 0.948216 0.624420 P\n0.796336 0.369325 0.380293 P\n0.875249 0.813365 0.120227 P\n0.124751 0.186636 0.879773 P\n0.284702 0.464215 0.091498 P\n0.001296 0.116932 0.944222 O\n0.651777 0.865764 0.880526 O\n0.757880 0.649120 0.036119 O\n0.951096 0.405915 0.320758 O\n0.391394 0.726545 0.716801 O\n0.710576 0.913106 0.163013 O\n0.439420 0.970253 0.319513 O\n0.560579 0.029748 0.680487 O\n0.998703 0.883068 0.055778 O\n0.420498 0.613326 0.347910 O\n0.842785 0.274792 0.455589 O\n0.048903 0.594086 0.679242 O\n0.820226 0.033254 0.557982 O\n0.396215 0.214279 0.464667 O\n0.124860 0.433967 0.150613 O\n0.179773 0.966747 0.442019 O\n0.335736 0.622763 0.093191 O\n0.875140 0.566034 0.849387 O\n0.664263 0.377237 0.906810 O\n0.289423 0.086895 0.836987 O\n0.242120 0.350881 0.963881 O\n0.222854 0.267974 0.631952 O\n0.007573 0.777085 0.213898 O\n0.992426 0.222916 0.786103 O\n0.579501 0.386675 0.652091 O\n0.157214 0.725209 0.544412 O\n0.693601 0.186379 0.083793 O\n0.491258 0.407387 0.143265 O\n0.603785 0.785722 0.535333 O\n0.608605 0.273455 0.283199 O\n0.287242 0.476197 0.547776 O\n0.112403 0.098063 0.298283 O\n0.887597 0.901937 0.701717 O\n0.712757 0.523803 0.452224 O\n0.777146 0.732027 0.368048 O\n0.348222 0.134237 0.119474 O\n0.508741 0.592614 0.856736 O\n0.306398 0.813622 0.916208 O\n",
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"volume": 748.0722930265239,
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"formula_full": "Ca8 P12 O38",
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"spacegroup": 2
},
{
"id": "jvasp-24591",
"created_at": "2022-09-04T14:36:33.797196Z",
"updated_at": "2022-09-04T14:36:33.797214Z",
"structure_string": "K4 Te2 I12\n1.0\n0.000000 7.917022 -0.031275\n8.284300 0.000000 0.000000\n0.000000 -7.846326 -11.361511\nK Te I\n4 2 12\ndirect\n0.717333 0.586155 0.746056 K\n0.282666 0.086155 0.753944 K\n0.282666 0.413845 0.253944 K\n0.717333 0.913845 0.246056 K\n0.000000 0.000000 0.000000 Te\n-0.000000 0.500000 0.500000 Te\n0.767777 0.195004 0.460921 I\n0.232222 0.695004 0.039078 I\n0.643855 0.801591 0.951924 I\n0.356143 0.301591 0.548075 I\n0.356144 0.198409 0.048075 I\n0.162097 0.004232 0.254496 I\n0.837902 0.504232 0.245503 I\n0.767777 0.304996 0.960921 I\n0.162097 0.495768 0.754496 I\n0.837902 0.995768 0.745503 I\n0.643855 0.698409 0.451924 I\n0.232221 0.804996 0.539078 I\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.29901473703963,
"density_atomic": 0.02408993022133649,
"volume": 747.2001717986452,
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"formula_full": "K4 Te2 I12",
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"formula_anonymous": "AB2C6",
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},
{
"id": "jvasp-21248",
"created_at": "2022-09-04T14:36:38.111651Z",
"updated_at": "2022-09-04T14:36:38.111680Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n0.000000 7.100730 -0.053892\n12.462921 0.000000 0.000000\n0.000000 -6.655600 -8.391035\nRb Sb S\n4 8 14\ndirect\n0.149867 0.437019 0.852868 Rb\n0.149867 0.062981 0.352868 Rb\n0.850133 0.562981 0.147132 Rb\n0.850132 0.937019 0.647131 Rb\n0.594519 0.363232 0.347982 Sb\n0.405481 0.863232 0.152017 Sb\n0.405481 0.636768 0.652017 Sb\n0.594518 0.136768 0.847982 Sb\n0.672312 0.654904 0.451353 Sb\n0.672311 0.845096 0.951353 Sb\n0.327688 0.345096 0.548646 Sb\n0.327688 0.154904 0.048646 Sb\n0.319763 0.699096 0.830334 S\n0.829653 0.728675 0.850150 S\n0.170346 0.228675 0.649849 S\n0.680237 0.300904 0.169665 S\n0.319763 0.800904 0.330334 S\n0.680236 0.199096 0.669665 S\n0.170346 0.271324 0.149850 S\n0.000000 0.000000 0.000000 S\n0.380102 0.962513 0.718183 S\n0.380103 0.537487 0.218184 S\n0.619897 0.037487 0.281816 S\n0.829654 0.771324 0.350150 S\n-0.000000 0.500000 0.500000 S\n0.619897 0.462513 0.781816 S\n",
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"formula_full": "Rb4 Sb8 S14",
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{
"id": "jvasp-59033",
"created_at": "2022-09-04T14:38:01.588777Z",
"updated_at": "2022-09-04T14:38:01.588806Z",
"structure_string": "K8 Te4 S12\n1.0\n0.000000 6.325918 0.034471\n8.963633 0.000000 0.000000\n0.000000 -6.240498 -13.207364\nK Te S\n8 4 12\ndirect\n0.662327 0.370089 0.415852 K\n0.337673 0.870089 0.084148 K\n0.337673 0.629911 0.584148 K\n0.662327 0.129911 0.915852 K\n0.003249 0.391858 0.746081 K\n0.996751 0.891857 0.753919 K\n0.996751 0.608142 0.253919 K\n0.003249 0.108142 0.246081 K\n0.283286 0.172824 0.579410 Te\n0.716713 0.672824 0.920590 Te\n0.716714 0.827176 0.420590 Te\n0.283287 0.327176 0.079410 Te\n0.916799 0.133084 0.585877 S\n0.816971 0.663284 0.563171 S\n0.183029 0.163284 0.936829 S\n0.183029 0.336715 0.436829 S\n0.816971 0.836715 0.063171 S\n0.524317 0.660171 0.280213 S\n0.475683 0.160171 0.219786 S\n0.475683 0.339829 0.719786 S\n0.524317 0.839829 0.780213 S\n0.083201 0.866916 0.414123 S\n0.916799 0.366916 0.085877 S\n0.083200 0.633084 0.914123 S\n",
"nsites": 24,
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"elements": [
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"volume": 746.9716765801552,
"volume_molar": 18.74320241707871,
"formula_full": "K8 Te4 S12",
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},
{
"id": "jvasp-25794",
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{
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"updated_at": "2022-09-04T14:38:45.698907Z",
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}