HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=89",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=87",
"results": [
{
"id": "jvasp-96620",
"created_at": "2022-09-04T14:36:12.656843Z",
"updated_at": "2022-09-04T14:36:12.656868Z",
"structure_string": "Zn8 As4 H4 O20\n1.0\n8.337654 -0.000004 -0.000001\n-0.000004 8.627122 -0.000003\n0.000000 -0.000002 6.140007\nZn As H O\n8 4 4 20\ndirect\n0.500000 0.500000 0.747263 Zn\n-0.000000 0.000000 0.752738 Zn\n0.500000 0.500000 0.252738 Zn\n-0.000000 0.000000 0.247263 Zn\n0.634960 0.135669 0.500000 Zn\n0.365040 0.864332 0.500001 Zn\n0.134960 0.364332 0.000000 Zn\n0.865040 0.635669 0.000000 Zn\n0.748000 0.253501 0.000000 As\n0.252000 0.746499 0.000000 As\n0.247999 0.246500 0.500000 As\n0.752001 0.753502 0.500001 As\n0.781664 0.915585 0.000001 H\n0.218336 0.084415 0.000000 H\n0.718336 0.415585 0.500001 H\n0.281664 0.584415 0.500001 H\n0.394206 0.105876 0.500000 O\n0.769411 0.133781 0.223698 O\n0.230589 0.866220 0.223699 O\n0.730588 0.633780 0.723700 O\n0.269411 0.366220 0.723698 O\n0.230589 0.866219 0.776303 O\n0.769411 0.133782 0.776302 O\n0.605795 0.894124 0.500001 O\n0.105795 0.605876 0.000000 O\n0.432350 0.647859 0.000000 O\n0.890380 0.872039 0.000001 O\n0.109619 0.127962 0.000000 O\n0.390382 0.627963 0.500001 O\n0.609619 0.372039 0.500000 O\n0.932350 0.852141 0.500001 O\n0.067651 0.147859 0.500000 O\n0.730588 0.633780 0.276303 O\n0.567650 0.352141 0.000000 O\n0.894206 0.394125 0.000000 O\n0.269412 0.366219 0.276303 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Zn",
"As",
"H",
"O"
],
"chemical_system": "As-H-O-Zn",
"density": 4.312464881214043,
"density_atomic": 0.08151242737379474,
"volume": 441.65044717553786,
"volume_molar": 7.388003221133427,
"formula_full": "Zn8 As4 H4 O20",
"formula_reduced": "Zn2AsHO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6573155611111112,
"spacegroup": 58
},
{
"id": "jvasp-97709",
"created_at": "2022-09-04T14:35:54.874600Z",
"updated_at": "2022-09-04T14:35:54.874619Z",
"structure_string": "Th4 Te8 O24\n1.0\n7.230619 0.044980 0.000000\n-2.274013 6.988747 0.000000\n0.000000 0.000000 11.325364\nTh Te O\n4 8 24\ndirect\n0.740636 0.992171 0.908227 Th\n0.759365 0.507829 0.408227 Th\n0.259365 0.007829 0.091773 Th\n0.240635 0.492171 0.591772 Th\n0.264754 0.527902 0.925081 Te\n0.764754 0.027902 0.574919 Te\n0.735247 0.472098 0.074919 Te\n0.235247 0.972098 0.425081 Te\n0.245446 0.451936 0.273741 Te\n0.745446 0.951936 0.226259 Te\n0.754555 0.548065 0.726258 Te\n0.254554 0.048065 0.773741 Te\n0.821884 0.307737 0.970829 O\n0.686165 0.117689 0.718939 O\n0.813835 0.382312 0.218939 O\n0.963378 0.832077 0.408332 O\n0.536623 0.667923 0.908332 O\n0.036622 0.167923 0.591668 O\n0.463378 0.332077 0.091668 O\n0.321884 0.807737 0.529170 O\n0.178116 0.692263 0.029171 O\n0.678116 0.192263 0.470829 O\n0.426845 0.030447 0.899393 O\n0.910194 0.919686 0.098829 O\n0.573156 0.969554 0.100607 O\n0.926845 0.530447 0.600607 O\n0.089806 0.080314 0.901170 O\n0.410194 0.419686 0.401170 O\n0.186165 0.617689 0.781060 O\n0.589807 0.580315 0.598829 O\n0.356785 0.315413 0.745703 O\n0.143215 0.184588 0.245704 O\n0.643215 0.684588 0.254296 O\n0.856786 0.815413 0.754296 O\n0.073156 0.469553 0.399393 O\n0.313835 0.882312 0.281061 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Th",
"Te",
"O"
],
"chemical_system": "O-Te-Th",
"density": 6.755338571252778,
"density_atomic": 0.06277653723416855,
"volume": 573.4626595556407,
"volume_molar": 9.592980156800078,
"formula_full": "Th4 Te8 O24",
"formula_reduced": "Th(TeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.34432357037037,
"spacegroup": 14
},
{
"id": "jvasp-12853",
"created_at": "2022-09-04T14:38:07.578166Z",
"updated_at": "2022-09-04T14:38:07.578191Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n7.185208 0.027608 0.000000\n-2.152187 9.884328 0.000000\n0.000000 0.000000 12.743839\nRb Ga S\n4 12 20\ndirect\n0.161608 0.408120 0.608301 Rb\n0.838392 0.091880 0.108301 Rb\n0.838392 0.591880 0.391699 Rb\n0.161608 0.908120 0.891699 Rb\n0.714633 0.376228 0.833218 Ga\n0.285367 0.623773 0.166783 Ga\n0.557575 0.701559 0.899228 Ga\n0.796765 0.600364 0.084046 Ga\n0.557576 0.201559 0.600772 Ga\n0.714633 0.876228 0.666783 Ga\n0.442425 0.298442 0.100772 Ga\n0.442424 0.798442 0.399228 Ga\n0.796765 0.100364 0.415954 Ga\n0.203235 0.899636 0.584046 Ga\n0.203235 0.399636 0.915954 Ga\n0.285367 0.123773 0.333218 Ga\n0.058066 0.247248 0.358678 S\n0.345163 0.585353 0.338939 S\n0.654837 0.914647 0.838939 S\n0.058066 0.747248 0.141322 S\n0.941934 0.252752 0.858678 S\n0.435988 0.262728 0.916854 S\n0.564012 0.737272 0.083146 S\n0.719453 0.403817 0.170771 S\n0.941934 0.752752 0.641322 S\n0.185779 0.406677 0.099980 S\n0.814221 0.093323 0.599980 S\n0.435988 0.762728 0.583146 S\n0.654837 0.414647 0.661061 S\n0.719453 0.903818 0.329229 S\n0.185779 0.906677 0.400020 S\n0.280547 0.096183 0.670771 S\n0.564012 0.237272 0.416854 S\n0.280547 0.596183 0.829229 S\n0.814221 0.593323 0.900020 S\n0.345163 0.085353 0.161061 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"S"
],
"chemical_system": "Ga-Rb-S",
"density": 3.3360616297268457,
"density_atomic": 0.039742258476807374,
"volume": 905.8367938754345,
"volume_molar": 15.15299077306937,
"formula_full": "Rb4 Ga12 S20",
"formula_reduced": "RbGa3S5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.8450974416666668,
"spacegroup": 14
},
{
"id": "jvasp-25649",
"created_at": "2022-09-04T14:37:43.470738Z",
"updated_at": "2022-09-04T14:37:43.470762Z",
"structure_string": "Na4 Bi8 Au4 O20\n1.0\n12.471278 -0.000000 0.000000\n0.000000 12.471278 0.000000\n0.000000 0.000000 3.608161\nNa Bi Au O\n4 8 4 20\ndirect\n0.801210 0.698790 0.500000 Na\n0.698790 0.198790 0.500000 Na\n0.198790 0.301210 0.500000 Na\n0.301210 0.801210 0.500000 Na\n0.769114 0.950560 -0.000068 Bi\n0.549441 0.730886 0.000068 Bi\n0.950560 0.230886 0.000068 Bi\n0.269114 0.549441 -0.000068 Bi\n0.230886 0.049441 -0.000068 Bi\n0.730886 0.450559 -0.000068 Bi\n0.049441 0.769114 0.000068 Bi\n0.450559 0.269114 0.000068 Bi\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.286604 0.213396 0.000000 O\n0.883780 0.113808 0.500006 O\n0.786604 0.286604 0.000000 O\n0.886192 0.883780 0.499994 O\n0.386192 0.616220 0.499994 O\n0.616220 0.613808 0.500006 O\n0.613808 0.383780 0.499994 O\n0.504219 0.161095 0.500026 O\n0.213396 0.713396 0.000000 O\n0.713396 0.786604 0.000000 O\n0.838905 0.504219 0.499974 O\n0.113808 0.116220 0.499994 O\n0.495781 0.838905 0.500026 O\n0.995781 0.661095 0.500026 O\n0.383780 0.386192 0.500006 O\n0.116220 0.886192 0.500006 O\n0.338905 0.995781 0.499974 O\n0.161095 0.495781 0.499974 O\n0.661095 0.004219 0.499974 O\n0.004219 0.338905 0.500026 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Bi",
"Au",
"O"
],
"chemical_system": "Au-Bi-Na-O",
"density": 8.497159421504,
"density_atomic": 0.06414970627694323,
"volume": 561.1872928082161,
"volume_molar": 9.387635750040035,
"formula_full": "Na4 Bi8 Au4 O20",
"formula_reduced": "NaBi2AuO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.654132518888889,
"spacegroup": 127
},
{
"id": "jvasp-88331",
"created_at": "2022-09-04T14:36:16.758308Z",
"updated_at": "2022-09-04T14:36:16.758327Z",
"structure_string": "Ba12 Al4 H4 O16\n1.0\n10.563874 0.000000 0.000000\n0.000000 8.236890 -0.000000\n0.000000 0.000000 7.292094\nBa Al H O\n12 4 4 16\ndirect\n0.834137 0.025296 0.399099 Ba\n0.535764 0.750000 0.401137 Ba\n0.035765 0.750000 0.098862 Ba\n0.464235 0.250000 0.598862 Ba\n0.334137 0.025296 0.100901 Ba\n0.834137 0.474704 0.399099 Ba\n0.964235 0.250000 0.901137 Ba\n0.165863 0.974704 0.600901 Ba\n0.665863 0.974704 0.899098 Ba\n0.165863 0.525296 0.600901 Ba\n0.334137 0.474704 0.100901 Ba\n0.665863 0.525296 0.899098 Ba\n0.603422 0.250000 0.189103 Al\n0.103422 0.250000 0.310897 Al\n0.396577 0.750000 0.810897 Al\n0.896577 0.750000 0.689102 Al\n0.769988 0.750000 0.160523 H\n0.269988 0.750000 0.339477 H\n0.230012 0.250000 0.839476 H\n0.730011 0.250000 0.660523 H\n0.267963 0.250000 0.371614 O\n0.767963 0.250000 0.128386 O\n0.988501 0.750000 0.482395 O\n0.488501 0.750000 0.017605 O\n0.011499 0.250000 0.517604 O\n0.511499 0.250000 0.982395 O\n0.232037 0.750000 0.871613 O\n0.072329 0.065304 0.194723 O\n0.927670 0.565304 0.805276 O\n0.427671 0.934696 0.694723 O\n0.927670 0.934696 0.805276 O\n0.427671 0.565304 0.694723 O\n0.072329 0.434696 0.194723 O\n0.572329 0.065304 0.305276 O\n0.572329 0.434696 0.305276 O\n0.732037 0.750000 0.628386 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Al",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O",
"density": 5.275618478048951,
"density_atomic": 0.05673665969696651,
"volume": 634.5103887376856,
"volume_molar": 10.614196874057393,
"formula_full": "Ba12 Al4 H4 O16",
"formula_reduced": "Ba3AlHO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4328160788888888,
"spacegroup": 62
},
{
"id": "jvasp-96847",
"created_at": "2022-09-04T14:36:34.510542Z",
"updated_at": "2022-09-04T14:36:34.510554Z",
"structure_string": "Nb8 Ni4 O24\n1.0\n5.070372 -0.000000 0.000000\n-0.000000 5.731860 0.000000\n0.000000 0.000000 14.106512\nNb Ni O\n8 4 24\ndirect\n0.240679 0.317107 0.657782 Nb\n0.759321 0.682893 0.342217 Nb\n0.259321 0.817107 0.157783 Nb\n0.740679 0.682893 0.657782 Nb\n0.740679 0.182893 0.842217 Nb\n0.759321 0.182893 0.157783 Nb\n0.259321 0.317107 0.342217 Nb\n0.240679 0.817107 0.842217 Nb\n0.750000 0.150786 0.500000 Ni\n0.250000 0.849214 0.500000 Ni\n0.750000 0.650786 0.000000 Ni\n0.250000 0.349214 0.000000 Ni\n0.413446 0.109889 0.908170 O\n0.084977 0.612731 0.076907 O\n0.584977 0.887269 0.423093 O\n0.415023 0.612731 0.923093 O\n0.915023 0.887269 0.576907 O\n0.913445 0.390111 0.591830 O\n0.928947 0.380147 0.256134 O\n0.086554 0.609889 0.408170 O\n0.428947 0.119853 0.243866 O\n0.571052 0.380147 0.743866 O\n0.071052 0.119853 0.756134 O\n0.071052 0.619853 0.743866 O\n0.571052 0.880147 0.756134 O\n0.428947 0.619853 0.256134 O\n0.086554 0.109889 0.091830 O\n0.928947 0.880147 0.243866 O\n0.415023 0.112731 0.576907 O\n0.584977 0.387269 0.076907 O\n0.084977 0.112731 0.423093 O\n0.913445 0.890111 0.908170 O\n0.413446 0.609889 0.591830 O\n0.586554 0.890111 0.091830 O\n0.915023 0.387269 0.923093 O\n0.586554 0.390111 0.408170 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"O"
],
"chemical_system": "Nb-Ni-O",
"density": 5.516637277449958,
"density_atomic": 0.0878107042611746,
"volume": 409.9727966299589,
"volume_molar": 6.858094136323517,
"formula_full": "Nb8 Ni4 O24",
"formula_reduced": "Nb2NiO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.225289133333334,
"spacegroup": 60
},
{
"id": "jvasp-103790",
"created_at": "2022-09-04T14:36:39.746741Z",
"updated_at": "2022-09-04T14:36:39.746767Z",
"structure_string": "H16 C18 O2\n1.0\n4.434753 0.070803 -0.861560\n-0.443687 6.523251 -0.910659\n-0.128493 0.032788 10.885712\nH C O\n16 18 2\ndirect\n0.894418 0.251249 0.802505 H\n0.483257 0.937084 0.181114 H\n0.483258 0.437086 0.681114 H\n0.044398 0.256510 0.605540 H\n0.634581 0.437615 0.486248 H\n0.634581 0.937615 0.986249 H\n0.642952 0.919834 0.668436 H\n0.642952 0.419833 0.168436 H\n0.044396 0.756509 0.105541 H\n0.172431 0.406898 0.318532 H\n0.106655 0.693976 0.696109 H\n0.106655 0.193975 0.196109 H\n0.375974 0.103673 0.695619 H\n0.375973 0.603672 0.195619 H\n0.894417 0.751248 0.302506 H\n0.172432 0.906899 0.818533 H\n0.528148 0.697683 0.826755 C\n0.606310 0.004976 0.274966 C\n0.606311 0.504977 0.774966 C\n0.836451 0.902330 0.341165 C\n0.836452 0.402331 0.841165 C\n0.401040 0.942108 0.663464 C\n0.401040 0.442107 0.163464 C\n0.528148 0.197682 0.326755 C\n0.998946 0.989735 0.461533 C\n0.279496 0.807795 0.752972 C\n0.691087 0.286537 0.446288 C\n0.691087 0.786537 0.946288 C\n0.922549 0.183489 0.512920 C\n0.922548 0.683489 0.012920 C\n0.243925 0.872207 0.526977 C\n0.243925 0.372207 0.026977 C\n0.279496 0.307794 0.252972 C\n0.998946 0.489736 0.961533 C\n0.315756 0.209460 0.972271 O\n0.315754 0.709460 0.472271 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3947593874586293,
"density_atomic": 0.11439979177327043,
"volume": 314.68588746515024,
"volume_molar": 5.2641186375018165,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391382416666666,
"spacegroup": 1
},
{
"id": "jvasp-87897",
"created_at": "2022-09-04T14:36:02.835480Z",
"updated_at": "2022-09-04T14:36:02.835505Z",
"structure_string": "Ca4 Ta8 O24\n1.0\n5.385152 0.000000 0.000000\n0.000000 7.549823 0.000000\n0.000000 0.000000 11.171329\nCa Ta O\n4 8 24\ndirect\n0.541578 0.250000 0.042006 Ca\n0.458421 0.750000 0.957994 Ca\n0.958421 0.250000 0.542006 Ca\n0.041579 0.750000 0.457994 Ca\n0.538945 0.494264 0.358841 Ta\n0.461055 0.505736 0.641159 Ta\n0.461055 0.994264 0.641159 Ta\n0.961054 0.005736 0.858841 Ta\n0.038945 0.994264 0.141159 Ta\n0.538945 0.005736 0.358841 Ta\n0.038945 0.505736 0.141159 Ta\n0.961054 0.494264 0.858841 Ta\n0.770355 0.541954 0.024422 O\n0.872582 0.562280 0.288229 O\n0.372582 0.437720 0.211771 O\n0.127418 0.062280 0.711771 O\n0.627418 0.937720 0.788229 O\n0.270355 0.458045 0.475578 O\n0.667061 0.250000 0.378365 O\n0.729645 0.541954 0.524422 O\n0.167061 0.750000 0.121635 O\n0.332938 0.750000 0.621635 O\n0.832938 0.250000 0.878365 O\n0.446821 0.750000 0.354825 O\n0.946821 0.250000 0.145175 O\n0.553179 0.250000 0.645175 O\n0.229645 0.041954 0.975578 O\n0.053179 0.750000 0.854825 O\n0.627418 0.562280 0.788229 O\n0.872582 0.937720 0.288229 O\n0.372582 0.062280 0.211771 O\n0.770355 0.958045 0.024422 O\n0.270355 0.041954 0.475578 O\n0.229645 0.458045 0.975578 O\n0.127418 0.437720 0.711771 O\n0.729645 0.958045 0.524422 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Ta",
"density": 7.282371493639683,
"density_atomic": 0.07926161598682664,
"volume": 454.1921023409772,
"volume_molar": 7.597802145493584,
"formula_full": "Ca4 Ta8 O24",
"formula_reduced": "CaTa2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2483666466666663,
"spacegroup": 62
},
{
"id": "jvasp-22943",
"created_at": "2022-09-04T14:38:28.799493Z",
"updated_at": "2022-09-04T14:38:28.799521Z",
"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 5.9510411312602445,
"density_atomic": 0.07072017308268277,
"volume": 509.0485278918995,
"volume_molar": 8.515449690655014,
"formula_full": "Tl4 Sn4 F28",
"formula_reduced": "TlSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-63014",
"created_at": "2022-09-04T14:36:05.406779Z",
"updated_at": "2022-09-04T14:36:05.406806Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842816 0.001983\n7.642957 0.000000 0.000000\n0.000000 -0.034316 -9.706679\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991971 0.393734 0.836443 Ca\n0.008028 0.893734 0.663558 Ca\n0.008029 0.606266 0.163558 Ca\n0.991972 0.106266 0.336443 Ca\n0.529274 0.732432 0.915928 Si\n0.470726 0.232431 0.584072 Si\n0.470726 0.267569 0.084072 Si\n0.529274 0.767569 0.415928 Si\n0.428438 0.911357 0.159021 B\n0.571563 0.411357 0.340979 B\n0.571562 0.088644 0.840979 B\n0.428438 0.588644 0.659021 B\n0.809998 0.535167 0.577346 H\n0.190002 0.035167 0.922654 H\n0.809999 0.964834 0.077346 H\n0.190002 0.464834 0.422654 H\n0.678278 0.335247 0.211213 O\n0.261002 0.413732 0.336695 O\n0.738999 0.913732 0.163305 O\n0.687371 0.588975 0.354286 O\n0.312629 0.088975 0.145715 O\n0.312629 0.411025 0.645715 O\n0.687371 0.911026 0.854286 O\n0.321723 0.835248 0.288787 O\n0.678277 0.164753 0.711213 O\n0.241707 0.095476 0.535992 O\n0.325932 0.697581 0.542353 O\n0.674068 0.197580 0.957648 O\n0.674069 0.302420 0.457648 O\n0.325932 0.802420 0.042353 O\n0.758293 0.904525 0.464009 O\n0.241707 0.404524 0.035991 O\n0.261001 0.086268 0.836695 O\n0.758293 0.595476 0.964009 O\n0.321723 0.664753 0.788787 O\n0.738999 0.586269 0.663305 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9576299620212554,
"density_atomic": 0.10020123559687784,
"volume": 359.2770067709796,
"volume_molar": 6.010046407239756,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-98193",
"created_at": "2022-09-04T14:36:02.941113Z",
"updated_at": "2022-09-04T14:36:02.941143Z",
"structure_string": "Er4 B16 Rh16\n1.0\n6.870672 0.000000 -3.092204\n-1.391673 6.728252 -3.092204\n-0.018826 -0.023118 9.137359\nEr B Rh\n4 16 16\ndirect\n0.125000 0.375000 0.250000 Er\n0.875000 0.625000 0.750000 Er\n0.625000 0.875000 0.250001 Er\n0.374999 0.125000 0.750000 Er\n0.930547 0.872029 0.585269 B\n0.627970 0.569452 0.914732 B\n0.786760 0.069453 0.914732 B\n0.345279 0.786761 0.414732 B\n0.069452 0.127971 0.414732 B\n0.372029 0.430547 0.085269 B\n0.872029 0.654721 0.085269 B\n0.154721 0.372029 0.585268 B\n0.430547 0.713239 0.585269 B\n0.127970 0.345279 0.914732 B\n0.213239 0.930547 0.085269 B\n0.654721 0.213239 0.585269 B\n0.569452 0.286761 0.414732 B\n0.286761 0.845279 0.914732 B\n0.845279 0.627970 0.414732 B\n0.713239 0.154721 0.085269 B\n0.964965 0.176867 0.622660 Rh\n0.323133 0.535034 0.877340 Rh\n0.054207 0.035035 0.877340 Rh\n0.342305 0.054207 0.377340 Rh\n0.035035 0.823133 0.377340 Rh\n0.676867 0.464965 0.122660 Rh\n0.464965 0.445793 0.622660 Rh\n0.157694 0.676867 0.622660 Rh\n0.823132 0.342305 0.877340 Rh\n0.945793 0.964965 0.122661 Rh\n0.657694 0.945792 0.622660 Rh\n0.176867 0.657694 0.122660 Rh\n0.535035 0.554207 0.377341 Rh\n0.554207 0.842305 0.877341 Rh\n0.445793 0.157694 0.122660 Rh\n0.842305 0.323133 0.377341 Rh\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Er",
"B",
"Rh"
],
"chemical_system": "B-Er-Rh",
"density": 9.805635519046612,
"density_atomic": 0.08542628189129996,
"volume": 421.4159764767467,
"volume_molar": 7.049517580155049,
"formula_full": "Er4 B16 Rh16",
"formula_reduced": "Er(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 3.992339148148148,
"spacegroup": 142
},
{
"id": "jvasp-98450",
"created_at": "2022-09-04T14:37:51.913112Z",
"updated_at": "2022-09-04T14:37:51.913139Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n-4.581065 -5.301520 2.461599\n-4.581065 5.301520 2.461599\n0.028270 0.000000 -9.868922\nK Ca Si O\n4 6 6 20\ndirect\n0.230500 0.478869 0.988846 K\n0.521132 0.769501 0.511154 K\n0.769501 0.521132 0.011154 K\n0.478869 0.230500 0.488846 K\n0.368403 0.631598 0.750000 Ca\n0.631598 0.368403 0.250000 Ca\n0.227479 0.990639 0.985664 Ca\n0.009362 0.772522 0.514336 Ca\n0.772522 0.009362 0.014336 Ca\n0.990639 0.227479 0.485664 Ca\n0.840335 0.159666 0.750000 Si\n0.159666 0.840335 0.250000 Si\n0.853296 0.582287 0.710588 Si\n0.417714 0.146705 0.789412 Si\n0.146705 0.417714 0.289412 Si\n0.582287 0.853296 0.210588 Si\n0.026222 0.857029 0.090125 O\n0.142972 0.973779 0.409876 O\n0.699234 0.070035 0.277481 O\n0.929966 0.300767 0.222519 O\n0.300767 0.929966 0.722519 O\n0.070035 0.699234 0.777481 O\n0.785994 0.499391 0.520099 O\n0.500610 0.214007 0.979901 O\n0.214007 0.500610 0.479901 O\n0.309510 0.309631 0.728991 O\n0.612777 0.122149 0.737420 O\n0.877853 0.387224 0.762581 O\n0.387224 0.877853 0.262581 O\n0.122149 0.612777 0.237420 O\n0.690491 0.690370 0.271009 O\n0.309631 0.309510 0.228991 O\n0.857029 0.026222 0.590125 O\n0.690370 0.690491 0.771009 O\n0.499391 0.785994 0.020099 O\n0.973779 0.142972 0.909875 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 3.071655476611446,
"density_atomic": 0.07521508140959421,
"volume": 478.62741521154487,
"volume_molar": 8.006560183330246,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9499671144444444,
"spacegroup": 15
}
]
}