{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=105","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=103","results":[{"id":"jvasp-39380","created_at":"2022-09-04T14:37:55.537990Z","updated_at":"2022-09-04T14:37:55.538022Z","structure_string":"Lu2 Ta2 O5\n1.0\n3.463243 0.000000 0.000000\n0.000000 3.463243 0.000000\n0.000000 -0.000000 9.704473\nLu Ta O\n2 2 5\ndirect\n0.500000 0.500000 0.734623 Lu\n0.500000 0.500000 0.265377 Lu\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.875497 O\n0.500000 0.000000 0.124503 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.875497 O\n0.000000 0.500000 0.124503 O\n","nsites":9,"nelements":3,"elements":["Lu","Ta","O"],"chemical_system":"Lu-O-Ta","density":11.296434434766228,"density_atomic":0.07732227494837922,"volume":116.39595454231592,"volume_molar":7.788364690537644,"formula_full":"Lu2 Ta2 O5","formula_reduced":"Lu2Ta2O5","formula_anonymous":"A2B2C5","energy_above_hull":3.4205841555555554,"spacegroup":123},{"id":"jvasp-21778","created_at":"2022-09-04T14:37:48.709437Z","updated_at":"2022-09-04T14:37:48.709450Z","structure_string":"Tl8 Ge8 S20\n1.0\n8.617555 -0.011709 -1.829353\n-2.247122 10.477371 0.004180\n0.012512 0.016497 10.715617\nTl Ge S\n8 8 20\ndirect\n0.104477 0.460080 0.201603 Tl\n0.893086 0.926410 0.796328 Tl\n0.606915 0.203672 0.073591 Tl\n0.106915 0.073591 0.203673 Tl\n0.395523 0.798397 0.539920 Tl\n0.604478 0.201603 0.460081 Tl\n0.895523 0.539920 0.798397 Tl\n0.393085 0.796328 0.926410 Tl\n0.588240 0.520459 0.265405 Ge\n0.411760 0.479541 0.734596 Ge\n0.088240 0.265404 0.520459 Ge\n0.112173 0.270023 0.867084 Ge\n0.387827 0.132916 0.729977 Ge\n0.887828 0.729977 0.132916 Ge\n0.612173 0.867084 0.270023 Ge\n0.911761 0.734596 0.479542 Ge\n0.272691 0.466205 0.894054 S\n0.227309 0.105946 0.533796 S\n0.250000 0.462062 0.537939 S\n0.557202 0.326444 0.759548 S\n0.750000 0.537939 0.462062 S\n0.250000 0.109355 0.890646 S\n0.750001 0.890645 0.109355 S\n0.543193 0.999134 0.757051 S\n0.956808 0.242949 0.000866 S\n0.456808 0.000866 0.242950 S\n0.727310 0.533795 0.105946 S\n0.043192 0.757051 0.999134 S\n0.573441 0.665329 0.760335 S\n0.073441 0.760334 0.665329 S\n0.426559 0.334671 0.239666 S\n0.057202 0.759548 0.326444 S\n0.442799 0.673556 0.240452 S\n0.942799 0.240452 0.673557 S\n0.926560 0.239666 0.334672 S\n0.772691 0.894054 0.466205 S\n","nsites":36,"nelements":3,"elements":["Tl","Ge","S"],"chemical_system":"Ge-S-Tl","density":4.904202990761077,"density_atomic":0.03720811502383941,"volume":967.5308726855588,"volume_molar":16.185019735994654,"formula_full":"Tl8 Ge8 S20","formula_reduced":"Tl2Ge2S5","formula_anonymous":"A2B2C5","energy_above_hull":1.237719677777778,"spacegroup":15},{"id":"jvasp-11667","created_at":"2022-09-04T14:38:13.729366Z","updated_at":"2022-09-04T14:38:13.729385Z","structure_string":"Sr4 Mn4 O10\n1.0\n3.816492 0.000000 0.000000\n0.000000 5.538927 0.000000\n0.000000 -0.000000 10.889500\nSr Mn O\n4 4 10\ndirect\n0.000000 0.215138 0.866815 Sr\n0.000000 0.784862 0.133185 Sr\n0.000000 0.715139 0.633185 Sr\n0.000000 0.284862 0.366815 Sr\n0.500000 0.239592 0.623746 Mn\n0.500000 0.760408 0.376254 Mn\n0.500000 0.739592 0.876254 Mn\n0.500000 0.260408 0.123746 Mn\n0.000000 0.798071 0.398778 O\n0.000000 0.201930 0.601222 O\n0.500000 0.528987 0.233351 O\n0.500000 0.471014 0.766649 O\n0.500000 0.500000 0.500000 O\n0.500000 0.971014 0.733351 O\n0.500000 0.000000 0.000000 O\n0.000000 0.298071 0.101222 O\n0.500000 0.028987 0.266649 O\n0.000000 0.701930 0.898778 O\n","nsites":18,"nelements":3,"elements":["Sr","Mn","O"],"chemical_system":"Mn-O-Sr","density":5.2675487016874385,"density_atomic":0.07819420491719833,"volume":230.19608702538275,"volume_molar":7.701517991489248,"formula_full":"Sr4 Mn4 O10","formula_reduced":"Sr2Mn2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.2748849558620687,"spacegroup":55},{"id":"jvasp-108194","created_at":"2022-09-04T14:36:07.949898Z","updated_at":"2022-09-04T14:36:07.949922Z","structure_string":"Ba2 Sc2 O5\n1.0\n4.166246 -0.000000 0.000000\n0.000000 4.166246 0.000000\n-0.000000 -0.000000 8.264804\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.261114 Sc\n0.500000 0.500000 0.738886 Sc\n0.500000 0.000000 0.221457 O\n0.500000 0.000000 0.778543 O\n-0.000000 0.500000 0.221457 O\n-0.000000 0.500000 0.778543 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":3,"elements":["Ba","Sc","O"],"chemical_system":"Ba-O-Sc","density":5.1458824584083755,"density_atomic":0.06273647762029999,"volume":143.45720928852117,"volume_molar":9.599105637469489,"formula_full":"Ba2 Sc2 O5","formula_reduced":"Ba2Sc2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.8291155488888888,"spacegroup":123},{"id":"jvasp-86073","created_at":"2022-09-04T14:36:07.222212Z","updated_at":"2022-09-04T14:36:07.222237Z","structure_string":"Er10 Ni4 Te4\n1.0\n3.949934 0.000000 0.000000\n-1.974967 7.421005 -0.000000\n0.000000 -0.000000 14.794136\nEr Ni Te\n10 4 4\ndirect\n0.961026 0.922056 0.873347 Er\n0.961026 0.922056 0.626654 Er\n0.260623 0.521247 0.869397 Er\n0.739376 0.478754 0.130603 Er\n0.739376 0.478754 0.369397 Er\n0.392143 0.784288 0.250000 Er\n0.038972 0.077945 0.373347 Er\n0.260623 0.521247 0.630603 Er\n0.038972 0.077945 0.126654 Er\n0.607856 0.215713 0.750000 Er\n0.582811 0.165622 0.250000 Ni\n0.812296 0.624595 0.750000 Ni\n0.417188 0.834379 0.750000 Ni\n0.187702 0.375405 0.250000 Ni\n0.617132 0.234266 0.960769 Te\n0.617132 0.234266 0.539231 Te\n0.382867 0.765734 0.460769 Te\n0.382867 0.765734 0.039231 Te\n","nsites":18,"nelements":3,"elements":["Er","Ni","Te"],"chemical_system":"Er-Ni-Te","density":9.258076442705846,"density_atomic":0.04150785922302222,"volume":433.65281507980905,"volume_molar":14.508434963227003,"formula_full":"Er10 Ni4 Te4","formula_reduced":"Er5(NiTe)2","formula_anonymous":"A2B2C5","energy_above_hull":1.3146533703703704,"spacegroup":63},{"id":"jvasp-40246","created_at":"2022-09-04T14:37:54.182351Z","updated_at":"2022-09-04T14:37:54.182366Z","structure_string":"Ba2 Sc2 O5\n1.0\n4.168528 0.000000 -0.000000\n0.000000 4.168528 0.000000\n0.000000 -0.000000 8.269364\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.261133 Sc\n0.500000 0.500000 0.738867 Sc\n0.500000 0.000000 0.221460 O\n0.500000 0.000000 0.778540 O\n0.000000 0.500000 0.221460 O\n0.000000 0.500000 0.778540 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":3,"elements":["Ba","Sc","O"],"chemical_system":"Ba-O-Sc","density":5.137415420287652,"density_atomic":0.0626332509819412,"volume":143.6936428957669,"volume_molar":9.61492604261647,"formula_full":"Ba2 Sc2 O5","formula_reduced":"Ba2Sc2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.8307888822222225,"spacegroup":123},{"id":"jvasp-9550","created_at":"2022-09-04T14:37:07.218377Z","updated_at":"2022-09-04T14:37:07.218398Z","structure_string":"Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n","nsites":18,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.520693212599816,"density_atomic":0.085057564581337,"volume":211.62138945075662,"volume_molar":7.080076639440197,"formula_full":"Mg4 Ti4 O10","formula_reduced":"Mg2Ti2O5","formula_anonymous":"A2B2C5","energy_above_hull":2.0504535851851853,"spacegroup":26},{"id":"jvasp-97820","created_at":"2022-09-04T14:36:11.331433Z","updated_at":"2022-09-04T14:36:11.331452Z","structure_string":"Na8 Si8 O20\n1.0\n4.851156 0.000000 0.000000\n0.000000 7.893372 -1.983907\n0.000000 0.009723 12.264646\nNa Si O\n8 8 20\ndirect\n0.778213 0.861197 0.526776 Na\n0.753261 0.379700 0.444258 Na\n0.253260 0.620300 0.055742 Na\n0.246740 0.620299 0.555742 Na\n0.746741 0.379700 0.944258 Na\n0.221787 0.138802 0.473224 Na\n0.721788 0.861198 0.026776 Na\n0.278213 0.138802 0.973224 Na\n0.201950 0.402311 0.776784 Si\n0.178708 0.026384 0.180860 Si\n0.678708 0.973615 0.319140 Si\n0.821293 0.973615 0.819140 Si\n0.321292 0.026384 0.680860 Si\n0.298050 0.402312 0.276783 Si\n0.798051 0.597688 0.223216 Si\n0.701951 0.597688 0.723216 Si\n0.652028 0.016869 0.712649 O\n0.152027 0.983130 0.787351 O\n0.258176 0.903744 0.561222 O\n0.629174 0.449451 0.267597 O\n0.758177 0.096255 0.938778 O\n0.741825 0.096256 0.438778 O\n0.241824 0.903744 0.061222 O\n0.267721 0.389422 0.902229 O\n0.767721 0.610577 0.597771 O\n0.732280 0.610577 0.097771 O\n0.847974 0.016869 0.212649 O\n0.232279 0.389422 0.402229 O\n0.755299 0.774452 0.821651 O\n0.744702 0.774452 0.321650 O\n0.244701 0.225547 0.178349 O\n0.870827 0.449451 0.767598 O\n0.370827 0.550548 0.732403 O\n0.129173 0.550548 0.232402 O\n0.255299 0.225547 0.678349 O\n0.347973 0.983131 0.287351 O\n","nsites":36,"nelements":3,"elements":["Na","Si","O"],"chemical_system":"Na-O-Si","density":2.5756274267558217,"density_atomic":0.07663958532462922,"volume":469.7311428227533,"volume_molar":7.857741837317456,"formula_full":"Na8 Si8 O20","formula_reduced":"Na2Si2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.925534744444444,"spacegroup":14},{"id":"jvasp-12791","created_at":"2022-09-04T14:37:10.846901Z","updated_at":"2022-09-04T14:37:10.846921Z","structure_string":"Sc8 Cu8 O20\n1.0\n3.231736 0.000000 0.000000\n0.000000 10.542983 0.000000\n0.000000 0.000000 12.103181\nSc Cu O\n8 8 20\ndirect\n0.718001 0.460503 0.669325 Sc\n0.781779 0.789357 0.999576 Sc\n0.218223 0.210643 0.499576 Sc\n0.718223 0.289357 0.999576 Sc\n0.281778 0.710643 0.499576 Sc\n0.782001 0.960503 0.669325 Sc\n0.218000 0.039497 0.169325 Sc\n0.282000 0.539496 0.169325 Sc\n0.851794 0.760358 0.278597 Cu\n0.344919 0.009661 0.890742 Cu\n0.655082 0.990339 0.390742 Cu\n0.155082 0.509661 0.890742 Cu\n0.844919 0.490339 0.390742 Cu\n0.351794 0.739641 0.778597 Cu\n0.648208 0.260359 0.278597 Cu\n0.148207 0.239641 0.778597 Cu\n0.784073 0.669024 0.135815 O\n0.215928 0.330976 0.635815 O\n0.272707 0.918835 0.033612 O\n0.287341 0.681923 0.934842 O\n0.727294 0.081164 0.533612 O\n0.227293 0.418835 0.033612 O\n0.772708 0.581164 0.533612 O\n0.717376 0.932464 0.234860 O\n0.282625 0.067536 0.734860 O\n0.782626 0.432464 0.234860 O\n0.284072 0.830975 0.635815 O\n0.217376 0.567536 0.734860 O\n0.790673 0.375257 0.834630 O\n0.290672 0.124743 0.334630 O\n0.709329 0.875257 0.834630 O\n0.787341 0.818076 0.434842 O\n0.212660 0.181923 0.934842 O\n0.712660 0.318077 0.434842 O\n0.209329 0.624743 0.334630 O\n0.715929 0.169024 0.135815 O\n","nsites":36,"nelements":3,"elements":["Sc","Cu","O"],"chemical_system":"Cu-O-Sc","density":4.783742921115243,"density_atomic":0.08729785852886594,"volume":412.3812497427555,"volume_molar":6.898383146487743,"formula_full":"Sc8 Cu8 O20","formula_reduced":"Sc2Cu2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.893720988888889,"spacegroup":33},{"id":"jvasp-23042","created_at":"2022-09-04T14:38:29.495159Z","updated_at":"2022-09-04T14:38:29.495178Z","structure_string":"Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n","nsites":36,"nelements":3,"elements":["Sr","Ge","Se"],"chemical_system":"Ge-Se-Sr","density":4.892640024798266,"density_atomic":0.037071171272681475,"volume":971.1050059680515,"volume_molar":16.244808440778463,"formula_full":"Sr8 Ge8 Se20","formula_reduced":"Sr2Ge2Se5","formula_anonymous":"A2B2C5","energy_above_hull":0.8515323725925925,"spacegroup":14},{"id":"jvasp-102619","created_at":"2022-09-04T14:36:49.861915Z","updated_at":"2022-09-04T14:36:49.861925Z","structure_string":"Ge2 Bi2 Te5\n1.0\n4.364082 0.000000 0.000000\n-2.182041 3.779406 0.000000\n0.000000 0.000000 17.450618\nGe Bi Te\n2 2 5\ndirect\n0.333334 0.666667 0.098208 Ge\n0.666667 0.333334 0.901793 Ge\n0.000000 0.000000 0.315780 Bi\n0.000000 0.000000 0.684220 Bi\n0.333334 0.666667 0.417614 Te\n0.666667 0.333334 0.582386 Te\n0.333334 0.666667 0.805730 Te\n0.666667 0.333334 0.194270 Te\n0.000000 0.000000 0.000000 Te\n","nsites":9,"nelements":3,"elements":["Ge","Bi","Te"],"chemical_system":"Bi-Ge-Te","density":6.930298004148027,"density_atomic":0.03126909033870175,"volume":287.824170850941,"volume_molar":19.25908523327395,"formula_full":"Ge2 Bi2 Te5","formula_reduced":"Ge2Bi2Te5","formula_anonymous":"A2B2C5","energy_above_hull":1.0270554814814816,"spacegroup":164},{"id":"jvasp-116909","created_at":"2022-09-04T14:38:51.497798Z","updated_at":"2022-09-04T14:38:51.497824Z","structure_string":"Zn4 Sb4 O10\n1.0\n3.233428 0.000000 0.000000\n0.000000 8.764379 0.000000\n-0.000000 0.000000 8.492494\nZn Sb O\n4 4 10\ndirect\n0.500000 0.507428 0.312849 Zn\n0.500000 0.492572 0.687151 Zn\n0.500000 0.007428 0.187151 Zn\n0.500000 0.992573 0.812848 Zn\n-0.000000 0.713169 0.030469 Sb\n-0.000000 0.286831 0.969530 Sb\n-0.000000 0.786831 0.530469 Sb\n-0.000000 0.213169 0.469530 Sb\n0.500000 0.774344 0.172503 O\n-0.000000 0.026072 0.331266 O\n0.500000 0.274344 0.327497 O\n0.500000 0.725656 0.672503 O\n0.000000 0.000000 0.000000 O\n-0.000000 0.473928 0.831266 O\n-0.000000 0.973928 0.668733 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.526072 0.168734 O\n0.500000 0.225656 0.827497 O\n","nsites":18,"nelements":3,"elements":["Zn","Sb","O"],"chemical_system":"O-Sb-Zn","density":6.269540242031567,"density_atomic":0.07479161514288273,"volume":240.66868947291218,"volume_molar":8.051892914058929,"formula_full":"Zn4 Sb4 O10","formula_reduced":"Zn2Sb2O5","formula_anonymous":"A2B2C5","energy_above_hull":1.4479278333333332,"spacegroup":55}]}