{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=504","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=502","results":[{"id":"jvasp-52495","created_at":"2022-09-04T14:37:45.436049Z","updated_at":"2022-09-04T14:37:45.436066Z","structure_string":"K3 Na1 Fe1 Cl6\n1.0\n3.778288 3.895488 4.020192\n-0.497297 8.539965 -0.243831\n-0.497297 -0.512722 8.528046\nK Na Fe Cl\n3 1 1 6\ndirect\n-0.000001 0.500000 0.500001 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Fe\n0.090664 0.721669 0.721669 Cl\n0.465998 0.000000 0.721669 Cl\n0.465998 0.721668 0.000000 Cl\n0.534002 0.000000 0.278331 Cl\n0.534002 0.278331 -0.000000 Cl\n0.909335 0.278332 0.278331 Cl\n","nsites":11,"nelements":4,"elements":["K","Na","Fe","Cl"],"chemical_system":"Cl-Fe-K-Na","density":2.1915173410205253,"density_atomic":0.03550806227353547,"volume":309.7887999424405,"volume_molar":16.95992508295324,"formula_full":"K3 Na1 Fe1 Cl6","formula_reduced":"K3NaFeCl6","formula_anonymous":"ABC3D6","energy_above_hull":0.0060963636363631,"spacegroup":166},{"id":"jvasp-24990","created_at":"2022-09-04T14:37:43.024220Z","updated_at":"2022-09-04T14:37:43.024247Z","structure_string":"Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n","nsites":22,"nelements":4,"elements":["Sr","Li","B","S"],"chemical_system":"B-Li-S-Sr","density":2.347604621830689,"density_atomic":0.04869175047909192,"volume":451.8219161056189,"volume_molar":12.36788716927704,"formula_full":"Sr2 Li2 B6 S12","formula_reduced":"SrLi(BS2)3","formula_anonymous":"ABC3D6","energy_above_hull":2.650552187272728,"spacegroup":9},{"id":"jvasp-25788","created_at":"2022-09-04T14:37:38.416250Z","updated_at":"2022-09-04T14:37:38.416270Z","structure_string":"As4 S4 Cl12 F24\n1.0\n7.705037 0.000000 0.000000\n0.000000 8.512965 0.000000\n0.000000 0.000000 12.061162\nAs S Cl F\n4 4 12 24\ndirect\n0.301974 0.532211 0.684597 As\n0.698026 0.032211 0.815402 As\n0.801975 0.967788 0.315402 As\n0.198026 0.467789 0.184598 As\n0.151793 0.021975 0.024572 S\n0.348207 0.978025 0.524572 S\n0.848207 0.521974 0.475428 S\n0.651793 0.478025 0.975428 S\n0.213745 0.174308 0.905822 Cl\n0.343632 0.183262 0.444221 Cl\n0.865386 0.492111 0.879981 Cl\n0.656368 0.683262 0.055778 Cl\n0.634614 0.507888 0.379981 Cl\n0.286255 0.825692 0.405823 Cl\n0.786255 0.674307 0.594177 Cl\n0.365386 0.007888 0.120018 Cl\n0.134614 0.992111 0.620018 Cl\n0.843633 0.316737 0.555778 Cl\n0.156368 0.816737 0.944221 Cl\n0.713746 0.325692 0.094177 Cl\n0.701497 0.148996 0.280562 F\n0.880219 0.133831 0.759785 F\n0.902586 0.958773 0.183578 F\n0.402585 0.541227 0.816421 F\n0.298503 0.648995 0.219438 F\n0.481666 0.430645 0.629357 F\n0.697102 0.972288 0.447128 F\n0.018334 0.569355 0.129357 F\n0.097415 0.458773 0.316422 F\n0.600570 0.215211 0.851174 F\n0.802898 0.027711 0.947127 F\n0.798503 0.851004 0.780562 F\n0.597415 0.041227 0.683578 F\n0.899430 0.784789 0.351174 F\n0.380219 0.366169 0.240215 F\n0.619781 0.866169 0.259785 F\n0.119781 0.633831 0.740215 F\n0.518334 0.930644 0.870643 F\n0.302898 0.472288 0.052872 F\n0.201497 0.351004 0.719438 F\n0.981667 0.069355 0.370643 F\n0.197102 0.527711 0.552872 F\n0.399430 0.715210 0.648825 F\n0.100570 0.284789 0.148825 F\n","nsites":44,"nelements":4,"elements":["As","S","Cl","F"],"chemical_system":"As-Cl-F-S","density":2.748262159808626,"density_atomic":0.05561704996507605,"volume":791.1243050041163,"volume_molar":10.827868007709,"formula_full":"As4 S4 Cl12 F24","formula_reduced":"AsS(ClF2)3","formula_anonymous":"ABC3D6","energy_above_hull":0.2676796043181819,"spacegroup":19},{"id":"jvasp-22143","created_at":"2022-09-04T14:37:44.729725Z","updated_at":"2022-09-04T14:37:44.729750Z","structure_string":"Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n","nsites":22,"nelements":4,"elements":["Sr","Cd","Ir","O"],"chemical_system":"Cd-Ir-O-Sr","density":6.9241794563212355,"density_atomic":0.06913232878220572,"volume":318.23027500359103,"volume_molar":8.711034137114249,"formula_full":"Sr6 Cd2 Ir2 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Pt\n0.091155 0.288157 0.963451 O\n0.788157 0.591155 0.463451 O\n0.536548 0.211842 0.408845 O\n0.408844 0.536548 0.211842 O\n0.211842 0.408844 0.536548 O\n0.711842 0.036548 0.908845 O\n0.908844 0.711842 0.036548 O\n0.036548 0.908844 0.711842 O\n0.463451 0.788157 0.591155 O\n0.591155 0.463451 0.788157 O\n0.963451 0.091155 0.288157 O\n0.288157 0.963451 0.091155 O\n","nsites":22,"nelements":4,"elements":["Sr","Ni","Pt","O"],"chemical_system":"Ni-O-Pt-Sr","density":6.740905321093462,"density_atomic":0.07288881021294469,"volume":301.82959408621144,"volume_molar":8.26209227782195,"formula_full":"Sr6 Ni2 Pt2 O12","formula_reduced":"Sr3NiPtO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6180048845454544,"spacegroup":167},{"id":"jvasp-55278","created_at":"2022-09-04T14:38:15.048982Z","updated_at":"2022-09-04T14:38:15.049011Z","structure_string":"Sr6 Dy2 Rh2 O12\n1.0\n6.814803 -0.002654 -0.236975\n-0.245266 6.810388 -0.236975\n-0.002562 -0.002654 6.818921\nSr Dy Rh O\n6 2 2 12\ndirect\n0.749999 0.380250 0.119750 Sr\n0.119751 0.750001 0.380248 Sr\n0.380249 0.119752 0.750000 Sr\n0.880249 0.250001 0.619750 Sr\n0.250000 0.619752 0.880248 Sr\n0.619750 0.880250 0.249999 Sr\n0.250000 0.250000 0.250000 Dy\n0.749999 0.750001 0.749999 Dy\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500001 0.499999 Rh\n0.089673 0.292147 0.955604 O\n0.792146 0.589674 0.455604 O\n0.544395 0.207855 0.410326 O\n0.410326 0.544396 0.207853 O\n0.207854 0.410327 0.544395 O\n0.707854 0.044396 0.910326 O\n0.910326 0.707855 0.044394 O\n0.044395 0.910327 0.707853 O\n0.455604 0.792147 0.589672 O\n0.589673 0.455606 0.792145 O\n0.955604 0.089674 0.292145 O\n0.292145 0.955605 0.089672 O\n","nsites":22,"nelements":4,"elements":["Sr","Dy","Rh","O"],"chemical_system":"Dy-O-Rh-Sr","density":6.551231767799278,"density_atomic":0.06951839261338116,"volume":316.4630132107709,"volume_molar":8.662658231313646,"formula_full":"Sr6 Dy2 Rh2 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Rh\n0.090513 0.292211 0.956534 O\n0.792212 0.590511 0.456533 O\n0.543467 0.207788 0.409488 O\n0.409489 0.543466 0.207788 O\n0.207789 0.409487 0.543466 O\n0.707790 0.043465 0.909488 O\n0.909489 0.707788 0.043465 O\n0.043467 0.909487 0.707788 O\n0.456535 0.792210 0.590511 O\n0.590513 0.456533 0.792211 O\n0.956535 0.090511 0.292211 O\n0.292212 0.956533 0.090511 O\n","nsites":22,"nelements":4,"elements":["Sr","Ho","Rh","O"],"chemical_system":"Ho-O-Rh-Sr","density":6.6013084547801615,"density_atomic":0.06977812745379638,"volume":315.2850442220209,"volume_molar":8.630413253762882,"formula_full":"Sr6 Ho2 Rh2 O12","formula_reduced":"Sr3HoRhO6","formula_anonymous":"ABC3D6","energy_above_hull":1.6196116815151511,"spacegroup":167},{"id":"jvasp-112793","created_at":"2022-09-04T14:38:43.768623Z","updated_at":"2022-09-04T14:38:43.768647Z","structure_string":"Ca6 Mn2 Co2 O12\n1.0\n6.319990 -0.016608 -0.231706\n-0.246115 6.348508 -0.236927\n-0.016924 -0.017507 6.323961\nCa Mn Co O\n6 2 2 12\ndirect\n0.884778 0.249954 0.615200 Ca\n0.612603 0.887735 0.246429 Ca\n0.253630 0.612276 0.887408 Ca\n0.115202 0.750021 0.384783 Ca\n0.387427 0.112259 0.753595 Ca\n0.746396 0.387711 0.112614 Ca\n0.499958 0.500024 0.500011 Mn\n0.000013 0.000028 0.999964 Mn\n0.756860 0.749880 0.743277 Co\n0.243228 0.249992 0.256796 Co\n0.911136 0.713023 0.042279 O\n0.209627 0.417892 0.544214 O\n0.418536 0.549480 0.213419 O\n0.542317 0.213056 0.411146 O\n0.581416 0.450490 0.786606 O\n0.955756 0.082142 0.290317 O\n0.790328 0.582197 0.455826 O\n0.088837 0.286979 0.957695 O\n0.286585 0.950521 0.081477 O\n0.044280 0.917951 0.709635 O\n0.457661 0.786949 0.588836 O\n0.713444 0.049455 0.918478 O\n","nsites":22,"nelements":4,"elements":["Ca","Mn","Co","O"],"chemical_system":"Ca-Co-Mn-O","density":4.321983424688803,"density_atomic":0.08673192841557267,"volume":253.65514640223208,"volume_molar":6.943395436966587,"formula_full":"Ca6 Mn2 Co2 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In\n0.087840 0.958814 0.301919 S\n0.458815 0.587841 0.801919 S\n0.587840 0.801919 0.458815 S\n0.801919 0.458815 0.587841 S\n0.041186 0.698082 0.912160 S\n0.198081 0.541186 0.412160 S\n0.912160 0.041187 0.698082 S\n0.541186 0.412160 0.198082 S\n0.412160 0.198082 0.541186 S\n0.301919 0.087841 0.958814 S\n0.698081 0.912161 0.041187 S\n0.958814 0.301919 0.087841 S\n","nsites":22,"nelements":4,"elements":["Ba","Sm","In","S"],"chemical_system":"Ba-In-S-Sm","density":4.806662056437674,"density_atomic":0.036617873230357575,"volume":600.7995019700156,"volume_molar":16.445905315460596,"formula_full":"Ba6 Sm2 In2 S12","formula_reduced":"Ba3SmInS6","formula_anonymous":"ABC3D6","energy_above_hull":1.105021523181818,"spacegroup":167}]}