{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3585","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3583","results":[{"id":"jvasp-42706","created_at":"2022-09-04T14:37:11.994442Z","updated_at":"2022-09-04T14:37:11.994461Z","structure_string":"Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.3621910804710216,"density_atomic":0.10028380414820393,"volume":239.32079764875812,"volume_molar":6.005098042651243,"formula_full":"Li4 Mn2 Fe2 B4 O12","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy_above_hull":3.1273340756704977,"spacegroup":2},{"id":"jvasp-94760","created_at":"2022-09-04T14:36:09.871320Z","updated_at":"2022-09-04T14:36:09.871340Z","structure_string":"Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n","nsites":8,"nelements":3,"elements":["Rb","Ca","Mg"],"chemical_system":"Ca-Mg-Rb","density":1.8827946772816673,"density_atomic":0.03342510149449524,"volume":239.3410832669428,"volume_molar":18.016821163555125,"formula_full":"Rb1 Ca1 Mg6","formula_reduced":"RbCaMg6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-64074","created_at":"2022-09-04T14:36:08.220251Z","updated_at":"2022-09-04T14:36:08.220285Z","structure_string":"Ba4 Zr1 Si1\n1.0\n-0.000000 4.927965 4.927965\n4.927965 0.000000 4.927965\n4.927965 4.927965 0.000000\nBa Zr Si\n4 1 1\ndirect\n0.127391 0.624203 0.624203 Ba\n0.624203 0.624203 0.624203 Ba\n0.624203 0.127391 0.624203 Ba\n0.624203 0.624203 0.127391 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Si\n","nsites":6,"nelements":3,"elements":["Ba","Zr","Si"],"chemical_system":"Ba-Si-Zr","density":4.638675551229826,"density_atomic":0.025067926387625446,"volume":239.34967365158076,"volume_molar":24.023290426498043,"formula_full":"Ba4 Zr1 Si1","formula_reduced":"Ba4ZrSi","formula_anonymous":"ABC4","energy_above_hull":1.33483783,"spacegroup":216},{"id":"jvasp-64127","created_at":"2022-09-04T14:36:15.381513Z","updated_at":"2022-09-04T14:36:15.381532Z","structure_string":"Ba4 Si1 Br1\n1.0\n-0.000000 4.928179 4.928179\n4.928179 0.000000 4.928179\n4.928179 4.928179 -0.000000\nBa Si Br\n4 1 1\ndirect\n0.122629 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122629 0.625790 Ba\n0.625790 0.625790 0.122629 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Br\n","nsites":6,"nelements":3,"elements":["Ba","Si","Br"],"chemical_system":"Ba-Br-Si","density":4.5595466237238975,"density_atomic":0.02506466089951997,"volume":239.38085673901577,"volume_molar":24.026420242195794,"formula_full":"Ba4 Si1 Br1","formula_reduced":"Ba4SiBr","formula_anonymous":"ABC4","energy_above_hull":0.4013077641666666,"spacegroup":216},{"id":"jvasp-63923","created_at":"2022-09-04T14:37:51.928969Z","updated_at":"2022-09-04T14:37:51.928993Z","structure_string":"Ba4 Cd1 Pd1\n1.0\n0.000000 4.928214 4.928214\n4.928214 -0.000000 4.928214\n4.928214 4.928214 -0.000000\nBa Cd Pd\n4 1 1\ndirect\n0.123279 0.625574 0.625574 Ba\n0.625574 0.625574 0.625574 Ba\n0.625574 0.123279 0.625574 Ba\n0.625574 0.625574 0.123279 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Ba","Cd","Pd"],"chemical_system":"Ba-Cd-Pd","density":5.3283193127987625,"density_atomic":0.025064126878330227,"volume":239.38595703437167,"volume_molar":24.026932153804974,"formula_full":"Ba4 Cd1 Pd1","formula_reduced":"Ba4CdPd","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-42335","created_at":"2022-09-04T14:36:13.031293Z","updated_at":"2022-09-04T14:36:13.031319Z","structure_string":"Li4 Mn2 Fe2 B4 O12\n1.0\n5.162624 0.015872 0.105455\n2.549811 4.512348 -0.040086\n2.349455 1.413302 10.313140\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.346944 0.579669 0.848982 Li\n0.078791 0.984784 0.664620 Li\n0.921208 0.015215 0.335380 Li\n0.653054 0.420330 0.151018 Li\n0.759885 0.655070 0.617961 Mn\n0.240114 0.344929 0.382039 Mn\n0.661786 0.914072 0.896542 Fe\n0.338212 0.085927 0.103458 Fe\n0.574018 0.686539 0.365868 B\n0.998757 0.750576 0.122608 B\n0.001242 0.249423 0.877392 B\n0.425980 0.313460 0.634132 B\n0.750776 0.744295 0.094538 O\n0.740508 0.516011 0.861648 O\n0.249222 0.255705 0.905462 O\n0.024945 0.983054 0.858627 O\n0.685596 0.051869 0.657633 O\n0.391127 0.584991 0.652492 O\n0.193753 0.299346 0.594326 O\n0.806245 0.700654 0.405674 O\n0.608872 0.415008 0.347508 O\n0.314402 0.948130 0.342367 O\n0.975053 0.016945 0.141373 O\n0.259491 0.483989 0.138352 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.3612756650560662,"density_atomic":0.10025650012591891,"volume":239.38597467353017,"volume_molar":6.0067334810574735,"formula_full":"Li4 Mn2 Fe2 B4 O12","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy_above_hull":3.126807409003831,"spacegroup":2},{"id":"jvasp-64247","created_at":"2022-09-04T14:35:50.492109Z","updated_at":"2022-09-04T14:35:50.492131Z","structure_string":"Ba4 Pd1 Cl1\n1.0\n-0.000000 4.928248 4.928248\n4.928248 -0.000000 4.928248\n4.928248 4.928248 0.000000\nBa Pd Cl\n4 1 1\ndirect\n0.125261 0.624913 0.624913 Ba\n0.624913 0.624913 0.624913 Ba\n0.624913 0.125261 0.624913 Ba\n0.624913 0.624913 0.125261 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Cl\n","nsites":6,"nelements":3,"elements":["Ba","Pd","Cl"],"chemical_system":"Ba-Cl-Pd","density":4.794388577889077,"density_atomic":0.02506360812941498,"volume":239.39091167637278,"volume_molar":24.027429446330743,"formula_full":"Ba4 Pd1 Cl1","formula_reduced":"Ba4PdCl","formula_anonymous":"ABC4","energy_above_hull":0.1689839412499999,"spacegroup":216},{"id":"jvasp-116887","created_at":"2022-09-04T14:38:34.626685Z","updated_at":"2022-09-04T14:38:34.626712Z","structure_string":"Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n","nsites":18,"nelements":4,"elements":["Ti","V","Co","O"],"chemical_system":"Co-O-Ti-V","density":3.4859586072151556,"density_atomic":0.07518973998702037,"volume":239.39436421920396,"volume_molar":8.009258658215298,"formula_full":"Ti1 V4 Co1 O12","formula_reduced":"TiV4CoO12","formula_anonymous":"ABC4D12","energy_above_hull":3.6004660018518515,"spacegroup":5},{"id":"jvasp-106376","created_at":"2022-09-04T14:38:39.157132Z","updated_at":"2022-09-04T14:38:39.157150Z","structure_string":"Ca1 Dy2 Te4\n1.0\n4.383841 0.000000 0.000000\n0.000000 7.134737 2.311990\n0.000000 0.021414 7.662128\nCa Dy Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.760130 0.247568 Te\n0.000000 0.252076 0.241497 Te\n0.500000 0.239870 0.752432 Te\n0.000000 0.747924 0.758503 Te\n","nsites":7,"nelements":3,"elements":["Ca","Dy","Te"],"chemical_system":"Ca-Dy-Te","density":6.07163508957001,"density_atomic":0.029235422038894336,"volume":239.43557204980016,"volume_molar":20.5987816833574,"formula_full":"Ca1 Dy2 Te4","formula_reduced":"Ca(DyTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.7652263552380953,"spacegroup":10},{"id":"jvasp-112543","created_at":"2022-09-04T14:38:40.673776Z","updated_at":"2022-09-04T14:38:40.673811Z","structure_string":"Ho4 Ni4 B16\n1.0\n6.261097 -0.007734 -2.647591\n-2.753797 5.622988 -2.647591\n0.004831 0.007734 6.797871\nHo Ni B\n4 4 16\ndirect\n0.794804 0.794805 0.000001 Ho\n0.205196 0.205196 0.000000 Ho\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.271278 0.500000 0.771278 Ni\n0.728722 0.500001 0.228722 Ni\n0.500000 0.728722 0.228722 Ni\n0.500000 0.271278 0.771278 Ni\n0.418890 0.418890 0.531542 B\n0.887348 0.887348 0.468458 B\n0.581111 0.112653 0.000000 B\n0.112652 0.581111 0.000000 B\n0.581111 0.581111 0.468458 B\n0.112652 0.112652 0.531542 B\n0.888942 0.724983 0.613925 B\n0.724983 0.111059 0.836042 B\n0.888942 0.275018 0.163959 B\n0.111058 0.724983 0.836041 B\n0.887348 0.418890 0.000001 B\n0.275017 0.888942 0.163959 B\n0.724983 0.888942 0.613925 B\n0.275017 0.111059 0.386076 B\n0.111059 0.275017 0.386076 B\n0.418890 0.887348 0.000000 B\n","nsites":24,"nelements":3,"elements":["Ho","Ni","B"],"chemical_system":"B-Ho-Ni","density":7.403067951557176,"density_atomic":0.100234641961633,"volume":239.43817756326726,"volume_molar":6.00804336918279,"formula_full":"Ho4 Ni4 B16","formula_reduced":"HoNiB4","formula_anonymous":"ABC4","energy_above_hull":3.661001383333333,"spacegroup":139},{"id":"jvasp-66175","created_at":"2022-09-04T14:36:05.752960Z","updated_at":"2022-09-04T14:36:05.752974Z","structure_string":"Ba4 Tc1 Pb1\n1.0\n0.000000 4.928653 4.928653\n4.928653 0.000000 4.928653\n4.928653 4.928653 -0.000000\nBa Tc Pb\n4 1 1\ndirect\n0.125150 0.624950 0.624950 Ba\n0.624950 0.624950 0.624950 Ba\n0.624950 0.125150 0.624950 Ba\n0.624950 0.624950 0.125150 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Pb\n","nsites":6,"nelements":3,"elements":["Ba","Tc","Pb"],"chemical_system":"Ba-Pb-Tc","density":5.92584798143889,"density_atomic":0.025057430015109943,"volume":239.44993546353018,"volume_molar":24.033353605571577,"formula_full":"Ba4 Tc1 Pb1","formula_reduced":"Ba4TcPb","formula_anonymous":"ABC4","energy_above_hull":1.0192293666666663,"spacegroup":216},{"id":"jvasp-29437","created_at":"2022-09-04T14:37:54.026989Z","updated_at":"2022-09-04T14:37:54.027009Z","structure_string":"Sm2 Ti3 Bi2 O12\n1.0\n3.792748 0.000385 -0.437102\n-0.050718 3.792407 -0.437131\n-0.002176 -0.002328 16.648242\nSm Ti Bi O\n2 3 2 12\ndirect\n0.065415 0.065411 0.130923 Sm\n0.934584 0.934591 0.869077 Sm\n0.373267 0.373267 0.746432 Ti\n0.500000 0.500001 0.000000 Ti\n0.626731 0.626734 0.253568 Ti\n0.210595 0.210590 0.421103 Bi\n0.789404 0.789412 0.578897 Bi\n0.558715 0.558719 0.117463 O\n0.318633 0.318630 0.637102 O\n0.386745 0.886740 0.773391 O\n0.886741 0.386744 0.773391 O\n0.613255 0.113261 0.226609 O\n0.249997 0.750003 0.500000 O\n0.750001 0.249998 0.500000 O\n0.441284 0.441283 0.882537 O\n0.113257 0.613258 0.226609 O\n0.681365 0.681371 0.362898 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000001 0.000000 O\n","nsites":19,"nelements":4,"elements":["Sm","Ti","Bi","O"],"chemical_system":"Bi-O-Sm-Ti","density":7.311030212499835,"density_atomic":0.07934678574771087,"volume":239.45519432144286,"volume_molar":7.589646767983588,"formula_full":"Sm2 Ti3 Bi2 O12","formula_reduced":"Sm2Ti3(BiO6)2","formula_anonymous":"A2B2C3D12","energy_above_hull":2.8506385973684205,"spacegroup":139}]}