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=-volume&page=417",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=415",
"results": [
{
"id": "jvasp-29207",
"created_at": "2022-09-04T14:37:44.825943Z",
"updated_at": "2022-09-04T14:37:44.825960Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.352630 0.000000 0.000000\n-1.676315 2.903470 -0.000010\n0.000000 -0.000131 37.821452\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333360 0.666719 0.332124 Te\n0.333359 0.666718 0.231651 Te\n0.333310 0.666618 0.093888 Mo\n0.333331 0.666661 0.469677 Mo\n0.666696 0.333390 0.281803 Mo\n0.666684 0.333367 0.657490 W\n0.333359 0.666718 0.701592 Se\n0.666642 0.333282 0.050051 Se\n0.666647 0.333293 0.137890 Se\n0.333358 0.666715 0.613212 Se\n0.666631 0.333260 0.429539 S\n0.666631 0.333261 0.509830 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.99216408711475,
"density_atomic": 0.032594181408177846,
"volume": 368.16387102113913,
"volume_molar": 18.476122116964873,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724532225,
"spacegroup": 156
},
{
"id": "jvasp-102054",
"created_at": "2022-09-04T14:36:59.215843Z",
"updated_at": "2022-09-04T14:36:59.215862Z",
"structure_string": "Rb3 Ga1 Br6\n1.0\n6.967025 0.000000 4.022414\n2.322341 6.568575 4.022414\n-0.000000 -0.000000 8.044828\nRb Ga Br\n3 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.776274 0.223727 0.223726 Br\n0.223727 0.223727 0.776273 Br\n0.223727 0.776272 0.776273 Br\n0.223727 0.776272 0.223727 Br\n0.776274 0.223727 0.776272 Br\n0.776274 0.776272 0.223726 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-Rb",
"density": 3.6333440140236553,
"density_atomic": 0.027162185121521014,
"volume": 368.15889278645875,
"volume_molar": 22.171046744058035,
"formula_full": "Rb3 Ga1 Br6",
"formula_reduced": "Rb3GaBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-88673",
"created_at": "2022-09-04T14:35:48.689202Z",
"updated_at": "2022-09-04T14:35:48.689218Z",
"structure_string": "Fe8 P4 O16 F4\n1.0\n6.108023 0.000000 2.251324\n2.569174 6.386762 2.441065\n-0.008245 0.004985 9.433811\nFe P O F\n8 4 16 4\ndirect\n0.844437 0.387231 0.988016 Fe\n0.155563 0.612769 0.011982 Fe\n0.280313 0.887232 0.488017 Fe\n0.762752 0.543420 0.639565 Fe\n0.554260 0.043422 0.139565 Fe\n0.237248 0.456580 0.360434 Fe\n0.445741 0.956578 0.860433 Fe\n0.719686 0.112767 0.511982 Fe\n0.270382 0.461352 0.692742 P\n0.924476 0.038647 0.807258 P\n0.729619 0.538648 0.307257 P\n0.075525 0.961352 0.192743 P\n0.890722 0.463887 0.420489 O\n0.433401 0.228055 0.698278 O\n0.109279 0.536112 0.579511 O\n0.566598 0.771944 0.301722 O\n0.859735 0.271944 0.801722 O\n0.140265 0.728056 0.198277 O\n0.847035 0.100910 0.133039 O\n0.580986 0.399090 0.366960 O\n0.152965 0.899089 0.866959 O\n0.419014 0.600910 0.633039 O\n0.035391 0.988997 0.357042 O\n0.275096 0.036113 0.079511 O\n0.964610 0.011001 0.642958 O\n0.118572 0.488998 0.857042 O\n0.724904 0.963885 0.920487 O\n0.881429 0.511000 0.142958 O\n0.374853 0.137968 0.394493 F\n0.407315 0.362032 0.105506 F\n0.625146 0.862031 0.605506 F\n0.592686 0.637966 0.894494 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-O-P",
"density": 4.072006340274433,
"density_atomic": 0.08693510903367523,
"volume": 368.09064088945314,
"volume_molar": 6.927167662109057,
"formula_full": "Fe8 P4 O16 F4",
"formula_reduced": "Fe2PO4F",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5889188478125,
"spacegroup": 15
},
{
"id": "jvasp-59498",
"created_at": "2022-09-04T14:37:42.593629Z",
"updated_at": "2022-09-04T14:37:42.593658Z",
"structure_string": "Ca4 Al4 F20\n1.0\n0.000000 5.357112 -0.001749\n9.923655 0.000000 0.000000\n0.000000 -2.494385 -6.922380\nCa Al F\n4 4 20\ndirect\n0.469989 0.980573 0.744591 Ca\n0.530010 0.480573 0.755409 Ca\n0.530010 0.019427 0.255409 Ca\n0.469989 0.519426 0.244591 Ca\n0.105242 0.753346 0.400310 Al\n0.894757 0.253346 0.099690 Al\n0.894757 0.246654 0.599690 Al\n0.105241 0.746654 0.900310 Al\n0.108612 0.106816 0.684870 F\n0.837401 0.640182 0.361137 F\n0.162598 0.140182 0.138864 F\n0.387146 0.872460 0.444763 F\n0.837401 0.859818 0.861137 F\n0.612853 0.372460 0.055237 F\n0.891386 0.606816 0.815131 F\n0.162598 0.359818 0.638864 F\n0.891387 0.893184 0.315131 F\n0.863138 0.288957 0.840939 F\n0.136861 0.711043 0.159061 F\n0.863138 0.211043 0.340939 F\n0.387146 0.627540 0.944763 F\n0.136861 0.788956 0.659061 F\n0.347569 0.882373 0.991824 F\n0.652429 0.382373 0.508177 F\n0.652430 0.117626 0.008176 F\n0.347569 0.617626 0.491824 F\n0.108613 0.393184 0.184870 F\n0.612853 0.127540 0.555237 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.9245118274158424,
"density_atomic": 0.07607625455972337,
"volume": 368.05176808512186,
"volume_molar": 7.915926979912427,
"formula_full": "Ca4 Al4 F20",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 6.285714285714228e-05,
"spacegroup": 14
},
{
"id": "jvasp-28944",
"created_at": "2022-09-04T14:37:46.170328Z",
"updated_at": "2022-09-04T14:37:46.170351Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.357984 0.000000 -0.000000\n-1.678992 2.908080 -0.000066\n-0.000000 -0.000869 37.689336\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707668 Te\n0.333353 0.666706 0.607004 Te\n0.333321 0.666643 0.093955 Mo\n0.666695 0.333391 0.657594 Mo\n0.333313 0.666626 0.469593 W\n0.666678 0.333357 0.281796 W\n0.333360 0.666720 0.326331 Se\n0.666642 0.333283 0.050039 Se\n0.666643 0.333286 0.138139 Se\n0.333355 0.666711 0.237315 Se\n0.666643 0.333285 0.429111 S\n0.666638 0.333277 0.510201 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.390330677769094,
"density_atomic": 0.03260451827176647,
"volume": 368.04714917046545,
"volume_molar": 18.4702644885105,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5284267333333337,
"spacegroup": 156
},
{
"id": "jvasp-21373",
"created_at": "2022-09-04T14:37:47.672413Z",
"updated_at": "2022-09-04T14:37:47.672430Z",
"structure_string": "K2 Rb4 Sc2 F12\n1.0\n0.000000 6.375002 0.000970\n6.397818 0.000000 0.000000\n0.000000 -6.354327 -9.024374\nK Rb Sc F\n2 4 2 12\ndirect\n0.499999 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.244126 0.468968 0.249768 Rb\n0.755873 0.968968 0.250232 Rb\n0.755872 0.531032 0.750231 Rb\n0.244126 0.031032 0.749768 Rb\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.286023 0.482581 0.720098 F\n0.713975 0.982581 0.779902 F\n0.222595 0.814468 0.967357 F\n0.777403 0.314468 0.532642 F\n0.777403 0.185532 0.032642 F\n0.144702 0.257173 0.963395 F\n0.855297 0.742828 0.036605 F\n0.144702 0.242828 0.463395 F\n0.286024 0.017419 0.220098 F\n0.855296 0.757173 0.536605 F\n0.222596 0.685533 0.467357 F\n0.713975 0.517420 0.279902 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sc",
"F"
],
"chemical_system": "F-K-Rb-Sc",
"density": 3.3296564920791045,
"density_atomic": 0.05434345363019986,
"volume": 368.02960916134265,
"volume_molar": 11.081630551086956,
"formula_full": "K2 Rb4 Sc2 F12",
"formula_reduced": "KRb2ScF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-109886",
"created_at": "2022-09-04T14:38:09.216779Z",
"updated_at": "2022-09-04T14:38:09.216803Z",
"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n6.966020 -0.000000 4.021834\n2.322007 6.567627 4.021834\n-0.000000 -0.000000 8.043667\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753165 0.246836 0.246835 Br\n0.246835 0.246836 0.753165 Br\n0.246836 0.753165 0.753164 Br\n0.246836 0.753165 0.246835 Br\n0.753165 0.246836 0.753164 Br\n0.753165 0.753165 0.246835 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Pr-Rb",
"density": 4.057204875840929,
"density_atomic": 0.027173946776223697,
"volume": 367.9995431782353,
"volume_molar": 22.161450486350308,
"formula_full": "Rb2 Pr1 Ag1 Br6",
"formula_reduced": "Rb2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36090",
"created_at": "2022-09-04T14:37:30.185195Z",
"updated_at": "2022-09-04T14:37:30.185219Z",
"structure_string": "Ce2 Ga8 Co18\n1.0\n-3.966249 3.966249 5.847845\n3.966249 -3.966249 5.847845\n3.966249 3.966249 -5.847845\nCe Ga Co\n2 8 18\ndirect\n0.750001 0.750001 0.000000 Ce\n0.250000 0.250000 0.000000 Ce\n0.304912 0.445982 0.500000 Ga\n0.554018 0.054018 0.858931 Ga\n0.195090 0.695090 0.141070 Ga\n0.945982 0.804912 0.500000 Ga\n0.695090 0.554020 0.500000 Ga\n0.445981 0.945982 0.141070 Ga\n0.804913 0.304912 0.858931 Ga\n0.054018 0.195088 0.500000 Ga\n0.000000 0.499999 0.499999 Co\n0.939742 0.439743 0.730152 Co\n0.709591 0.209590 0.269849 Co\n0.439743 0.709591 0.500002 Co\n0.209590 0.939742 0.499999 Co\n0.060259 0.560260 0.269849 Co\n0.290412 0.790411 0.730152 Co\n0.499999 0.000000 0.499999 Co\n0.698097 0.438417 0.136515 Co\n0.938418 0.198098 0.136517 Co\n0.561583 0.698097 0.259679 Co\n0.438419 0.301902 0.740322 Co\n0.560260 0.290412 0.500002 Co\n0.301902 0.561582 0.863484 Co\n0.801901 0.938418 0.740322 Co\n0.198097 0.061583 0.259679 Co\n0.061583 0.801902 0.863485 Co\n0.790411 0.060259 0.499999 Co\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Co"
],
"chemical_system": "Ce-Co-Ga",
"density": 8.56871335930858,
"density_atomic": 0.07609256708896471,
"volume": 367.97286609168276,
"volume_molar": 7.914229983802661,
"formula_full": "Ce2 Ga8 Co18",
"formula_reduced": "CeGa4Co9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.631125207142857,
"spacegroup": 140
},
{
"id": "jvasp-112214",
"created_at": "2022-09-04T14:38:46.452363Z",
"updated_at": "2022-09-04T14:38:46.452391Z",
"structure_string": "H20 C19 O4\n1.0\n5.102626 0.027232 0.570165\n0.256927 7.342241 1.553045\n-0.062030 0.071308 9.831629\nH C O\n20 19 4\ndirect\n0.960684 0.398556 0.117126 H\n0.963328 0.557422 0.592695 H\n0.621097 0.583476 0.573521 H\n0.743438 0.635897 0.721364 H\n0.754977 0.250104 0.655385 H\n0.531092 0.327330 0.780126 H\n0.923651 0.994821 0.840502 H\n0.278924 0.050170 0.987361 H\n0.036505 0.122940 0.105402 H\n0.423107 0.354997 0.497802 H\n0.685707 0.068356 0.960411 H\n0.115709 0.823076 0.641577 H\n0.431694 0.052517 0.654338 H\n0.361842 0.610720 0.408973 H\n0.342931 0.914722 0.251085 H\n0.844646 0.824537 0.170222 H\n0.861434 0.542400 0.314636 H\n0.759703 0.207553 0.316439 H\n0.776134 0.903299 0.470427 H\n0.940048 0.686410 0.969340 H\n0.107643 0.957083 0.572237 C\n0.767596 0.541689 0.649414 C\n0.731263 0.345345 0.727540 C\n0.920662 0.278396 0.836703 C\n0.892120 0.083276 0.917511 C\n0.075673 0.030110 0.032602 C\n0.278804 0.258435 0.490292 C\n0.286286 0.086402 0.579045 C\n0.919260 0.002012 0.476385 C\n0.375545 0.407820 0.101197 C\n0.091163 0.305262 0.394057 C\n0.093225 0.677463 0.040877 C\n0.049704 0.837112 0.121775 C\n0.229789 0.802443 0.237327 C\n0.239656 0.637686 0.322285 C\n0.068375 0.493047 0.298866 C\n0.106080 0.487056 0.139097 C\n0.353855 0.689479 0.953213 C\n0.910728 0.174418 0.388859 C\n0.481602 0.262937 0.148863 O\n0.513292 0.533363 0.996787 O\n0.437386 0.809740 0.859458 O\n0.089366 0.376187 0.858970 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4095758056792342,
"density_atomic": 0.1168564793777312,
"volume": 367.97274938435555,
"volume_molar": 5.153450447992541,
"formula_full": "H20 C19 O4",
"formula_reduced": "H20C19O4",
"formula_anonymous": "A4B19C20",
"energy_above_hull": 5.307404976744187,
"spacegroup": 1
},
{
"id": "jvasp-112023",
"created_at": "2022-09-04T14:38:42.420293Z",
"updated_at": "2022-09-04T14:38:42.420318Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.887379 -0.044503 0.094296\n-1.684175 7.224405 -2.188321\n0.245814 -0.152236 10.493322\nSn H C O\n1 26 14 4\ndirect\n0.442992 0.373752 0.801068 Sn\n0.618276 0.599398 0.384907 H\n0.829424 0.390502 0.614930 H\n0.560349 0.502702 0.591079 H\n0.325898 0.528847 0.054216 H\n0.098690 0.300220 -0.005277 H\n0.471176 0.710942 0.291312 H\n0.497253 0.253613 0.534758 H\n0.483555 0.984267 0.494293 H\n0.822414 0.945977 0.447440 H\n0.808816 0.783809 0.624866 H\n0.482987 0.844285 0.678416 H\n0.183468 0.246219 0.408666 H\n0.461335 0.328177 0.043075 H\n0.813127 0.399297 0.365798 H\n0.766468 0.057292 0.273563 H\n0.451439 0.064241 0.094794 H\n0.445298 0.827456 0.062035 H\n0.338008 0.931502 0.865000 H\n0.902757 0.115166 0.130589 H\n0.012543 0.967310 0.938599 H\n0.204565 0.913530 0.270128 H\n0.365647 0.290005 0.268465 H\n0.065005 0.723742 0.446545 H\n0.196492 0.593602 0.530920 H\n0.008440 0.460668 0.234568 H\n0.932370 0.788603 0.149496 H\n0.174359 0.887122 0.930530 C\n0.028932 0.435990 0.331644 C\n0.309297 0.925227 0.069774 C\n0.097002 0.918575 0.181455 C\n0.963693 0.088256 0.221393 C\n0.187346 0.616909 0.432743 C\n0.154971 0.266053 0.310818 C\n0.038796 0.682886 0.869804 C\n0.622361 0.888699 0.487988 C\n0.483352 0.696995 0.392435 C\n0.845330 0.073089 0.716814 C\n0.602950 0.380311 0.610354 C\n0.314129 0.382609 -0.001234 C\n0.680707 0.885440 0.630636 C\n0.107763 0.116615 0.693905 O\n0.182999 0.576733 0.793015 O\n0.784291 0.628198 0.900004 O\n0.722173 0.177781 0.807483 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7015840061278342,
"density_atomic": 0.1222930918417814,
"volume": 367.96845449143973,
"volume_molar": 4.9243507293046775,
"formula_full": "Sn1 H26 C14 O4",
"formula_reduced": "SnH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
"energy_above_hull": 4.660713904444444,
"spacegroup": 1
},
{
"id": "jvasp-97932",
"created_at": "2022-09-04T14:36:01.145445Z",
"updated_at": "2022-09-04T14:36:01.145471Z",
"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 2.097096428216092,
"density_atomic": 0.08153662434361976,
"volume": 367.9328184298017,
"volume_molar": 7.385810742692628,
"formula_full": "H8 S8 N12 O2",
"formula_reduced": "H4S4N6O",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.248311533333333,
"spacegroup": 12
},
{
"id": "jvasp-28619",
"created_at": "2022-09-04T14:38:03.068346Z",
"updated_at": "2022-09-04T14:38:03.068360Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347804 0.000000 -0.000000\n-1.673902 2.899254 -0.000017\n-0.000002 -0.000227 37.901489\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333355 0.666709 0.707805 Te\n0.333349 0.666698 0.607255 Te\n0.333310 0.666621 0.093956 Mo\n0.333310 0.666620 0.469606 W\n0.666693 0.333386 0.281778 W\n0.666690 0.333380 0.657612 W\n0.333360 0.666721 0.325959 Se\n0.666641 0.333283 0.425420 Se\n0.666647 0.333296 0.513749 Se\n0.333350 0.666700 0.237582 Se\n0.666640 0.333280 0.054014 S\n0.666646 0.333292 0.134011 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.78959160813632,
"density_atomic": 0.03261960405026596,
"volume": 367.87693625919894,
"volume_molar": 18.46172243758703,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.125687908333334,
"spacegroup": 156
}
]
}