{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4428","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4426","results":[{"id":"jvasp-118599","created_at":"2022-09-04T14:38:35.191829Z","updated_at":"2022-09-04T14:38:35.191857Z","structure_string":"Li2 Al1 O2\n1.0\n2.828903 -0.000000 -0.000000\n-1.414452 2.449902 -0.000000\n0.000000 -0.000000 6.762808\nLi Al O\n2 1 2\ndirect\n0.666667 0.333333 0.333226 Li\n0.333333 0.666666 0.666775 Li\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.852098 O\n0.333333 0.666666 0.147903 O\n","nsites":5,"nelements":3,"elements":["Li","Al","O"],"chemical_system":"Al-Li-O","density":2.5814182588511736,"density_atomic":0.1066783225690215,"volume":46.869878336950514,"volume_molar":5.645140094983813,"formula_full":"Li2 Al1 O2","formula_reduced":"Li2AlO2","formula_anonymous":"AB2C2","energy_above_hull":1.23318596,"spacegroup":164},{"id":"jvasp-19299","created_at":"2022-09-04T14:36:49.093990Z","updated_at":"2022-09-04T14:36:49.094005Z","structure_string":"Mg6 Ni4 O14\n1.0\n5.205388 -0.000000 -0.000000\n0.000000 4.782486 -1.289998\n-0.000000 -0.119021 9.068937\nMg Ni O\n6 4 14\ndirect\n0.673419 0.777945 -0.000000 Mg\n0.173419 0.222056 -0.000000 Mg\n0.829724 0.564490 0.615197 Mg\n0.329724 0.435512 0.384803 Mg\n0.829724 0.949292 0.384803 Mg\n0.329724 0.050709 0.615197 Mg\n0.749446 0.355763 0.204505 Ni\n0.249445 0.644238 0.795495 Ni\n0.249445 0.848742 0.204505 Ni\n0.749446 0.151259 0.795495 Ni\n0.311415 0.609597 -0.000000 O\n0.811415 0.390404 -0.000000 O\n0.442549 0.136471 0.149605 O\n0.942549 0.863530 0.850395 O\n0.041878 0.583229 0.272667 O\n0.541878 0.416772 0.727334 O\n0.203988 0.069684 0.407593 O\n0.041878 0.310563 0.727334 O\n0.703988 0.337911 0.407593 O\n0.203988 0.662090 0.592407 O\n0.942549 0.013135 0.149605 O\n0.703988 0.930317 0.592407 O\n0.541878 0.689438 0.272667 O\n0.442549 0.986866 0.850395 O\n","nsites":24,"nelements":3,"elements":["Mg","Ni","O"],"chemical_system":"Mg-Ni-O","density":4.462628359740159,"density_atomic":0.10668126833111652,"volume":224.96920382975745,"volume_molar":5.644984217199711,"formula_full":"Mg6 Ni4 O14","formula_reduced":"Mg3Ni2O7","formula_anonymous":"A2B3C7","energy_above_hull":1.5094505375000002,"spacegroup":36},{"id":"jvasp-98626","created_at":"2022-09-04T14:36:09.267655Z","updated_at":"2022-09-04T14:36:09.267676Z","structure_string":"Ca2 H24 I4 O28\n1.0\n8.672033 2.765854 -5.028183\n-8.672033 2.765854 5.028183\n-0.040495 0.000000 11.356444\nCa H I O\n2 24 4 28\ndirect\n0.567727 0.567727 0.750000 Ca\n0.432272 0.432272 0.250000 Ca\n0.956199 0.888677 0.155070 H\n0.111321 0.043800 0.655070 H\n0.043800 0.111322 0.844929 H\n0.621828 0.784418 0.350149 H\n0.784418 0.621828 0.149851 H\n0.378170 0.215581 0.649851 H\n0.215580 0.378171 0.850148 H\n0.355623 0.119393 0.171281 H\n0.119393 0.355623 0.328719 H\n0.644375 0.880606 0.828719 H\n0.880606 0.644376 0.671280 H\n0.281369 0.211243 0.035669 H\n0.211243 0.281369 0.464331 H\n0.718630 0.788756 0.964331 H\n0.788755 0.718630 0.535668 H\n0.852362 0.516043 0.483301 H\n0.516043 0.852362 0.016698 H\n0.147636 0.483956 0.516698 H\n0.483955 0.147637 0.983301 H\n0.159751 0.643204 0.690166 H\n0.643204 0.159751 0.809833 H\n0.840247 0.356795 0.309833 H\n0.356795 0.840248 0.190167 H\n0.888677 0.956199 0.344929 H\n0.415150 0.059410 0.521834 I\n0.059410 0.415151 0.978165 I\n0.940589 0.584848 0.021835 I\n0.584848 0.940589 0.478165 I\n0.775523 0.715525 0.138972 O\n0.284474 0.224476 0.638971 O\n0.224476 0.284474 0.861028 O\n0.297209 0.172207 0.137306 O\n0.172207 0.297209 0.362694 O\n0.702789 0.827792 0.862693 O\n0.827791 0.702790 0.637306 O\n0.362418 0.936713 0.385658 O\n0.936713 0.362418 0.114342 O\n0.637580 0.063286 0.614342 O\n0.063285 0.637581 0.885657 O\n0.685151 0.402268 0.420754 O\n0.402268 0.685151 0.079246 O\n0.597730 0.314848 0.920753 O\n0.120836 0.704091 0.597103 O\n0.704091 0.120837 0.902896 O\n0.879162 0.295908 0.402896 O\n0.295908 0.879162 0.097103 O\n0.522223 0.183058 0.665536 O\n0.183057 0.522223 0.834464 O\n0.477776 0.816941 0.334464 O\n0.816941 0.477776 0.165536 O\n0.203094 0.038336 0.406469 O\n0.038336 0.203094 0.093531 O\n0.796904 0.961663 0.593530 O\n0.961662 0.796905 0.906469 O\n0.314847 0.597731 0.579246 O\n0.715525 0.775523 0.361028 O\n","nsites":58,"nelements":4,"elements":["Ca","H","I","O"],"chemical_system":"Ca-H-I-O","density":3.237500304954873,"density_atomic":0.1066852309908149,"volume":543.6553819243596,"volume_molar":5.644774542896643,"formula_full":"Ca2 H24 I4 O28","formula_reduced":"CaH12(IO7)2","formula_anonymous":"AB2C12D14","energy_above_hull":2.7826959300000005,"spacegroup":15},{"id":"jvasp-47126","created_at":"2022-09-04T14:38:03.503004Z","updated_at":"2022-09-04T14:38:03.503027Z","structure_string":"Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n","nsites":14,"nelements":4,"elements":["Li","Cr","Si","O"],"chemical_system":"Cr-Li-O-Si","density":3.822040459981001,"density_atomic":0.10668642972173532,"volume":131.2256866830718,"volume_molar":5.644711118093685,"formula_full":"Li2 Cr2 Si2 O8","formula_reduced":"LiCrSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.6198114285714293,"spacegroup":74},{"id":"jvasp-42354","created_at":"2022-09-04T14:37:06.783751Z","updated_at":"2022-09-04T14:37:06.783778Z","structure_string":"Li4 Nb2 O6\n1.0\n2.652773 4.410105 0.046432\n-2.652773 4.410105 -0.046432\n-1.950100 0.000000 4.772957\nLi Nb O\n4 2 6\ndirect\n0.262809 0.262809 0.750000 Li\n0.579507 0.579507 0.750000 Li\n0.420492 0.420492 0.250000 Li\n0.737189 0.737189 0.250000 Li\n0.915095 0.915095 0.750000 Nb\n0.084904 0.084904 0.250000 Nb\n0.162819 0.674283 0.500448 O\n0.325716 0.837180 0.000447 O\n0.000000 0.499999 0.000000 O\n0.674283 0.162818 0.999553 O\n0.499999 -0.000000 0.500000 O\n0.837180 0.325716 0.499553 O\n","nsites":12,"nelements":3,"elements":["Li","Nb","O"],"chemical_system":"Li-Nb-O","density":4.570367602536927,"density_atomic":0.10668908262046725,"volume":112.47636314100163,"volume_molar":5.644570758399897,"formula_full":"Li4 Nb2 O6","formula_reduced":"Li2NbO3","formula_anonymous":"AB2C3","energy_above_hull":2.1962849833333333,"spacegroup":15},{"id":"jvasp-70347","created_at":"2022-09-04T14:35:42.057659Z","updated_at":"2022-09-04T14:35:42.057692Z","structure_string":"Be2 Cu1 Ni1\n1.0\n3.763703 0.000000 0.000000\n0.000000 3.763703 0.000000\n-0.000000 -0.000000 2.646712\nBe Cu Ni\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Be","Cu","Ni"],"chemical_system":"Be-Cu-Ni","density":6.212368510610672,"density_atomic":0.10668972960633717,"volume":37.49189368797882,"volume_molar":5.644536528699099,"formula_full":"Be2 Cu1 Ni1","formula_reduced":"Be2CuNi","formula_anonymous":"ABC2","energy_above_hull":1.0054287624999998,"spacegroup":123},{"id":"jvasp-51385","created_at":"2022-09-04T14:37:04.746984Z","updated_at":"2022-09-04T14:37:04.746996Z","structure_string":"Na1 Te1 H6 O6 F1\n1.0\n3.002931 1.733743 4.500733\n-3.002931 1.733743 4.500733\n0.000000 -3.467486 4.500733\nNa Te H O F\n1 1 6 6 1\ndirect\n0.374151 0.374151 0.374153 Na\n0.003778 0.003778 0.003778 Te\n0.952225 0.015497 0.462649 H\n0.015497 0.462647 0.952227 H\n0.462648 0.952226 0.015498 H\n0.322776 0.802181 0.610767 H\n0.802181 0.610765 0.322778 H\n0.610765 0.322776 0.802183 H\n0.820303 0.060101 0.364392 O\n0.060101 0.364391 0.820305 O\n0.364391 0.820304 0.060102 O\n0.157404 0.977304 0.629115 O\n0.977304 0.629114 0.157405 O\n0.629114 0.157404 0.977306 O\n0.554448 0.554448 0.554450 F\n","nsites":15,"nelements":5,"elements":["Na","Te","H","O","F"],"chemical_system":"F-H-Na-O-Te","density":3.2082322078580843,"density_atomic":0.1066907295903992,"volume":140.59328357381304,"volume_molar":5.644483623947321,"formula_full":"Na1 Te1 H6 O6 F1","formula_reduced":"NaTeH6O6F","formula_anonymous":"ABCD6E6","energy_above_hull":2.397173203277778,"spacegroup":146},{"id":"jvasp-42936","created_at":"2022-09-04T14:38:06.424899Z","updated_at":"2022-09-04T14:38:06.424926Z","structure_string":"Li2 Mn1 Co3 O8\n1.0\n5.635863 0.017271 -0.033676\n2.832890 4.906708 -0.000000\n-0.038777 -3.248750 4.742495\nLi Mn Co O\n2 1 3 8\ndirect\n0.499999 -0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238485 0.023185 0.786133 O\n0.238485 0.524462 0.786133 O\n0.272305 0.464048 0.200399 O\n0.729891 0.031368 0.792627 O\n0.270108 0.968632 0.207374 O\n0.727694 0.535953 0.799602 O\n0.761514 0.475538 0.213868 O\n0.761514 0.976815 0.213868 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.728016762611596,"density_atomic":0.10669248717428206,"volume":131.2182363612071,"volume_molar":5.644390640329567,"formula_full":"Li2 Mn1 Co3 O8","formula_reduced":"Li2MnCo3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.9557241386699507,"spacegroup":12},{"id":"jvasp-116764","created_at":"2022-09-04T14:38:43.492359Z","updated_at":"2022-09-04T14:38:43.492379Z","structure_string":"Li2 Co10 O14 F2\n1.0\n5.689011 0.033021 -0.086734\n2.813596 4.688744 1.572532\n0.094075 0.046214 9.887271\nLi Co O F\n2 10 14 2\ndirect\n0.012736 0.008518 0.004253 Li\n0.512735 0.008446 0.504254 Li\n0.935242 0.619342 0.809670 Co\n0.435214 0.619324 0.309666 Co\n0.928991 0.125548 0.309665 Co\n0.682094 0.619359 0.062775 Co\n0.429014 0.125567 0.809671 Co\n0.438609 0.625743 0.812863 Co\n0.938584 0.625719 0.312869 Co\n0.867444 0.244940 0.622481 Co\n0.367403 0.244970 0.122475 Co\n0.182125 0.619326 0.562775 Co\n0.069302 0.860661 0.208646 O\n0.347620 0.860672 0.930330 O\n0.847630 0.860633 0.430341 O\n0.790990 0.417313 0.930341 O\n0.290988 0.417269 0.430341 O\n0.569330 0.860680 0.708650 O\n0.305305 0.387251 0.918042 O\n0.076522 0.384338 0.692180 O\n0.080920 0.836072 0.693618 O\n0.580881 0.836087 0.193625 O\n0.529726 0.387272 0.693629 O\n0.029685 0.387276 0.193625 O\n0.576491 0.384346 0.192169 O\n0.805278 0.387227 0.418040 O\n0.309589 0.873028 0.436508 F\n0.809595 0.873055 0.936511 F\n","nsites":28,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":5.474486061041073,"density_atomic":0.10669267271888472,"volume":262.43601633051946,"volume_molar":5.644380824414453,"formula_full":"Li2 Co10 O14 F2","formula_reduced":"LiCo5O7F","formula_anonymous":"ABC5D7","energy_above_hull":2.887307091607143,"spacegroup":160},{"id":"jvasp-36222","created_at":"2022-09-04T14:36:42.148192Z","updated_at":"2022-09-04T14:36:42.148220Z","structure_string":"Ti1 O2\n1.0\n2.413397 2.413397 -0.000000\n2.413397 -0.000000 -2.413397\n0.000000 2.413397 -2.413397\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 O\n0.750001 0.750001 0.750001 O\n","nsites":3,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.717301586366027,"density_atomic":0.10670995909494975,"volume":28.113589635346234,"volume_molar":5.64346646843107,"formula_full":"Ti1 O2","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.5606784444444446,"spacegroup":225},{"id":"jvasp-112096","created_at":"2022-09-04T14:38:44.059538Z","updated_at":"2022-09-04T14:38:44.059567Z","structure_string":"H10 C17 S1 O1\n1.0\n3.816420 -0.093490 -0.057415\n1.462501 5.738063 1.487452\n-0.192673 0.080406 12.354756\nH C S O\n10 17 1 1\ndirect\n0.463715 0.223275 0.015153 H\n0.478941 0.581732 0.506095 H\n0.144601 0.288719 0.873940 H\n0.011287 0.427711 0.440633 H\n0.356043 0.829226 0.141634 H\n0.831935 0.992564 0.182336 H\n0.721563 0.596780 0.312589 H\n0.808058 0.389167 0.677250 H\n0.120016 0.799893 0.331130 H\n0.362602 0.212247 0.613073 H\n0.827788 0.519734 0.721799 C\n0.136819 0.714647 0.969563 C\n0.376523 0.768131 0.492094 C\n0.726559 0.175401 0.176724 C\n0.014670 0.465477 0.828809 C\n0.170685 0.892997 0.392399 C\n0.513028 0.309186 0.079521 C\n0.453844 0.877865 0.574772 C\n0.372187 0.547421 0.066024 C\n0.000523 0.659813 0.869749 C\n0.667983 0.754679 0.680080 C\n0.029856 0.134106 0.369155 C\n0.313098 0.118937 0.551518 C\n0.668297 0.510854 0.248739 C\n0.109171 0.242182 0.452524 C\n0.458589 0.644195 0.152684 C\n0.808457 0.271109 0.264567 C\n0.750284 0.907840 0.774902 S\n0.044076 0.923215 0.972334 O\n","nsites":29,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6029843683249356,"density_atomic":0.10671791885377044,"volume":271.7444297216578,"volume_molar":5.643045539757763,"formula_full":"H10 C17 S1 O1","formula_reduced":"H10C17SO","formula_anonymous":"ABC10D17","energy_above_hull":5.874852189655172,"spacegroup":1},{"id":"jvasp-37646","created_at":"2022-09-04T14:38:04.457235Z","updated_at":"2022-09-04T14:38:04.457260Z","structure_string":"Sc1 H4 Pd3\n1.0\n4.216342 0.000000 0.000000\n-0.000000 4.216342 -0.000000\n-0.000000 -0.000000 4.216342\nSc H Pd\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n","nsites":8,"nelements":3,"elements":["Sc","H","Pd"],"chemical_system":"H-Pd-Sc","density":8.157960831268529,"density_atomic":0.10672901352640388,"volume":74.95618797245668,"volume_molar":5.642458935039414,"formula_full":"Sc1 H4 Pd3","formula_reduced":"ScH4Pd3","formula_anonymous":"AB3C4","energy_above_hull":2.56873029375,"spacegroup":221}]}