{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4353","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=4351","results":[{"id":"jvasp-105108","created_at":"2022-09-04T14:36:40.519549Z","updated_at":"2022-09-04T14:36:40.519577Z","structure_string":"Al1 Zn1 Cu3 Se4\n1.0\n5.719719 0.000000 0.000000\n0.000000 5.719719 0.000000\n-0.000000 -0.000000 5.719719\nAl Zn Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.248592 0.248592 0.248592 Se\n0.751408 0.751408 0.248592 Se\n0.248592 0.751408 0.751408 Se\n0.751408 0.248592 0.751408 Se\n","nsites":9,"nelements":4,"elements":["Al","Zn","Cu","Se"],"chemical_system":"Al-Cu-Se-Zn","density":5.314427859123078,"density_atomic":0.04809704888011651,"volume":187.12166774374865,"volume_molar":12.520811359986732,"formula_full":"Al1 Zn1 Cu3 Se4","formula_reduced":"AlZnCu3Se4","formula_anonymous":"ABC3D4","energy_above_hull":0.5432431129629629,"spacegroup":215},{"id":"jvasp-105107","created_at":"2022-09-04T14:37:12.079275Z","updated_at":"2022-09-04T14:37:12.079296Z","structure_string":"C3 N4\n1.0\n5.026988 0.039108 -2.723116\n-0.119949 2.268880 -5.246456\n-0.168350 -0.039108 5.714685\nC N\n3 4\ndirect\n0.719284 -0.000000 0.719284 C\n0.235963 0.130668 0.105295 C\n0.974628 0.869333 0.105294 C\n0.975719 -0.000000 0.975719 N\n0.975738 0.310230 0.665509 N\n0.355279 0.689770 0.665508 N\n0.603030 0.500000 0.103030 N\n","nsites":7,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":2.420449912654815,"density_atomic":0.1108355960923059,"volume":63.15660533977074,"volume_molar":5.43339953256953,"formula_full":"C3 N4","formula_reduced":"C3N4","formula_anonymous":"A3B4","energy_above_hull":6.371256142857142,"spacegroup":44},{"id":"jvasp-105106","created_at":"2022-09-04T14:36:53.647556Z","updated_at":"2022-09-04T14:36:53.647585Z","structure_string":"Bi4 Se4\n1.0\n7.204379 0.000000 0.000000\n-0.000000 4.272612 4.002686\n-0.000000 0.142102 8.410741\nBi Se\n4 4\ndirect\n0.814108 0.633358 0.866648 Bi\n0.685893 0.633358 0.366648 Bi\n0.185893 0.366641 0.133353 Bi\n0.314108 0.366641 0.633353 Bi\n0.844140 0.215967 0.784052 Se\n0.655860 0.215967 0.284052 Se\n0.155860 0.784032 0.215949 Se\n0.344140 0.784032 0.715949 Se\n","nsites":8,"nelements":2,"elements":["Bi","Se"],"chemical_system":"Bi-Se","density":7.506135282509039,"density_atomic":0.03139747201191148,"volume":254.79758360688984,"volume_molar":19.18033642235699,"formula_full":"Bi4 Se4","formula_reduced":"BiSe","formula_anonymous":"AB","energy_above_hull":0.6573738333333333,"spacegroup":58},{"id":"jvasp-105103","created_at":"2022-09-04T14:36:58.707725Z","updated_at":"2022-09-04T14:36:58.707742Z","structure_string":"Li1 O1\n1.0\n2.511131 -0.000000 0.000000\n0.000000 2.511131 0.000000\n-0.000000 -0.000000 2.511131\nLi O\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 O\n","nsites":2,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":2.405702808935003,"density_atomic":0.1263053909011224,"volume":15.834636872829057,"volume_molar":4.767920606583139,"formula_full":"Li1 O1","formula_reduced":"LiO","formula_anonymous":"AB","energy_above_hull":0.4057067499999998,"spacegroup":221},{"id":"jvasp-105102","created_at":"2022-09-04T14:36:56.118966Z","updated_at":"2022-09-04T14:36:56.118982Z","structure_string":"Tb2 O2 F2\n1.0\n6.278770 0.128645 1.679435\n4.697318 4.168297 1.679435\n0.199862 0.078242 4.316283\nTb O F\n2 2 2\ndirect\n0.386333 0.386333 0.353382 Tb\n0.613667 0.613666 0.646615 Tb\n0.424434 0.424433 0.818984 O\n0.575566 0.575566 0.181014 O\n0.176464 0.176464 0.584585 F\n0.823537 0.823535 0.415413 F\n","nsites":6,"nelements":3,"elements":["Tb","O","F"],"chemical_system":"F-O-Tb","density":5.919821772064698,"density_atomic":0.05515071213962624,"volume":108.79279282576935,"volume_molar":10.919425201171688,"formula_full":"Tb2 O2 F2","formula_reduced":"TbOF","formula_anonymous":"ABC","energy_above_hull":0.0858566666666664,"spacegroup":12},{"id":"jvasp-105098","created_at":"2022-09-04T14:38:46.376336Z","updated_at":"2022-09-04T14:38:46.376371Z","structure_string":"Ho2 Br2 O2\n1.0\n3.820221 -0.000000 0.000000\n0.000000 3.820221 0.000000\n-0.000000 -0.000000 8.292587\nHo Br O\n2 2 2\ndirect\n0.500000 0.000000 0.136723 Ho\n-0.000000 0.500000 0.863278 Ho\n0.500000 0.000000 0.665774 Br\n-0.000000 0.500000 0.334227 Br\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ho","Br","O"],"chemical_system":"Br-Ho-O","density":7.157738315954468,"density_atomic":0.0495774561013269,"volume":121.02274847941251,"volume_molar":12.146933775084971,"formula_full":"Ho2 Br2 O2","formula_reduced":"HoBrO","formula_anonymous":"ABC","energy_above_hull":0.054851057222222,"spacegroup":129},{"id":"jvasp-105097","created_at":"2022-09-04T14:36:52.022447Z","updated_at":"2022-09-04T14:36:52.022469Z","structure_string":"La2 Ti2 N2 O4\n1.0\n3.867068 0.000000 0.000000\n0.000000 5.634077 0.000000\n-0.000000 -0.000000 5.699307\nLa Ti N O\n2 2 2 4\ndirect\n-0.000000 0.250000 0.229472 La\n-0.000000 0.750000 0.770529 La\n0.500000 0.250000 0.728935 Ti\n0.500000 0.750000 0.271065 Ti\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.750000 0.218939 O\n-0.000000 0.250000 0.781062 O\n","nsites":10,"nelements":4,"elements":["La","Ti","N","O"],"chemical_system":"La-N-O-Ti","density":6.2257880447793665,"density_atomic":0.08053290429619084,"volume":124.17284695484396,"volume_molar":7.477863629320076,"formula_full":"La2 Ti2 N2 O4","formula_reduced":"LaTiNO2","formula_anonymous":"ABCD2","energy_above_hull":2.7538267166666675,"spacegroup":51},{"id":"jvasp-105096","created_at":"2022-09-04T14:36:56.341912Z","updated_at":"2022-09-04T14:36:56.341941Z","structure_string":"Li1 Cr2 O4\n1.0\n4.779388 -0.000097 1.738845\n-0.002579 2.911186 0.007627\n-0.026379 -0.013391 5.019343\nLi Cr O\n1 2 4\ndirect\n-0.000000 0.500001 0.499999 Li\n0.500000 -0.000000 0.499999 Cr\n0.500000 0.500000 -0.000000 Cr\n0.715874 -0.000024 0.755277 O\n0.705425 0.499970 0.267454 O\n0.294575 0.500031 0.732545 O\n0.284126 0.000024 0.244722 O\n","nsites":7,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":4.151387432085219,"density_atomic":0.10004051677443981,"volume":69.9716497445012,"volume_molar":6.01970177101149,"formula_full":"Li1 Cr2 O4","formula_reduced":"LiCr2O4","formula_anonymous":"AB2C4","energy_above_hull":2.9392084000000005,"spacegroup":10},{"id":"jvasp-105095","created_at":"2022-09-04T14:36:56.412849Z","updated_at":"2022-09-04T14:36:56.412862Z","structure_string":"Sr4 N3\n1.0\n6.410526 0.037968 2.962941\n5.234602 3.700707 2.962941\n-0.023781 -0.007635 6.486830\nSr N\n4 3\ndirect\n0.630655 0.630657 0.559514 Sr\n0.139651 0.139651 -0.000198 Sr\n0.369343 0.369345 0.440485 Sr\n0.860348 0.860350 0.000197 Sr\n0.782030 0.782033 0.706509 N\n0.500000 0.500001 -0.000000 N\n0.217969 0.217970 0.293490 N\n","nsites":7,"nelements":2,"elements":["Sr","N"],"chemical_system":"N-Sr","density":4.263067822672704,"density_atomic":0.04578586388768715,"volume":152.88561590037963,"volume_molar":13.152838559019719,"formula_full":"Sr4 N3","formula_reduced":"Sr4N3","formula_anonymous":"A3B4","energy_above_hull":2.061106427142857,"spacegroup":12},{"id":"jvasp-105094","created_at":"2022-09-04T14:36:54.827400Z","updated_at":"2022-09-04T14:36:54.827424Z","structure_string":"Co2 Ge2 As4\n1.0\n5.057994 0.045047 -4.528814\n-0.980777 4.962198 -4.528814\n-0.036680 -0.045047 6.789117\nCo Ge As\n2 2 4\ndirect\n0.499999 0.500000 0.000000 Co\n0.249999 0.750000 0.500000 Co\n0.000000 0.000000 0.000000 Ge\n0.749999 0.250000 0.500000 Ge\n0.874999 0.417637 0.042637 As\n0.167636 0.125000 0.542636 As\n0.374999 0.832364 0.957364 As\n0.582363 0.625000 0.457364 As\n","nsites":8,"nelements":3,"elements":["Co","Ge","As"],"chemical_system":"As-Co-Ge","density":5.541700991723149,"density_atomic":0.04743562070507138,"volume":168.649632514342,"volume_molar":12.6953978265455,"formula_full":"Co2 Ge2 As4","formula_reduced":"CoGeAs2","formula_anonymous":"ABC2","energy_above_hull":2.1830050875,"spacegroup":122},{"id":"jvasp-105093","created_at":"2022-09-04T14:36:55.777663Z","updated_at":"2022-09-04T14:36:55.777687Z","structure_string":"Cu2 Ge1 S4\n1.0\n4.777983 0.144847 -4.108657\n-0.914776 4.691832 -4.108657\n-0.115693 -0.144847 6.300539\nCu Ge S\n2 1 4\ndirect\n0.250000 0.750000 0.499999 Cu\n0.750000 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Ge\n0.880455 0.880456 0.522839 S\n0.119543 0.642384 -0.000001 S\n0.357615 0.357615 0.477159 S\n0.642384 0.119544 -0.000000 S\n","nsites":7,"nelements":3,"elements":["Cu","Ge","S"],"chemical_system":"Cu-Ge-S","density":3.9892488421564303,"density_atomic":0.051271593952610474,"volume":136.5278404738107,"volume_molar":11.745569614173045,"formula_full":"Cu2 Ge1 S4","formula_reduced":"Cu2GeS4","formula_anonymous":"AB2C4","energy_above_hull":1.188225264285714,"spacegroup":121},{"id":"jvasp-105092","created_at":"2022-09-04T14:36:49.417100Z","updated_at":"2022-09-04T14:36:49.417129Z","structure_string":"Cu1 Cl2\n1.0\n4.517915 0.000000 0.000000\n0.000000 4.517915 0.000000\n0.000000 0.000000 3.680498\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.000000 -0.000000 Cl\n-0.000000 0.500001 -0.000000 Cl\n","nsites":3,"nelements":2,"elements":["Cu","Cl"],"chemical_system":"Cl-Cu","density":2.9718964042870493,"density_atomic":0.03993360859698486,"volume":75.12469084064973,"volume_molar":15.080382093129181,"formula_full":"Cu1 Cl2","formula_reduced":"CuCl2","formula_anonymous":"AB2","energy_above_hull":0.0749799999999999,"spacegroup":123}]}