{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=511","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=509","results":[{"id":"jvasp-48917","created_at":"2022-09-04T14:35:46.722409Z","updated_at":"2022-09-04T14:35:46.722420Z","structure_string":"Li1 Mn7 O9 F3\n1.0\n4.286152 2.474611 3.356852\n-4.286152 2.474612 3.356852\n0.000000 -4.949223 3.356852\nLi Mn O F\n1 7 9 3\ndirect\n0.535232 0.535232 0.535232 Li\n0.084089 0.754695 0.548581 Mn\n0.419418 0.942281 0.240333 Mn\n0.240333 0.419418 0.942281 Mn\n0.981508 0.981508 0.981508 Mn\n0.754695 0.548581 0.084089 Mn\n0.548581 0.084089 0.754695 Mn\n0.942281 0.240333 0.419418 Mn\n0.872409 0.058069 0.689815 O\n0.959204 0.300950 0.089003 O\n0.849037 0.573350 0.407932 O\n0.300950 0.089003 0.959204 O\n0.058069 0.689815 0.872408 O\n0.689815 0.872409 0.058069 O\n0.407932 0.849037 0.573350 O\n0.089003 0.959204 0.300950 O\n0.573350 0.407933 0.849037 O\n0.389621 0.583758 0.220707 F\n0.220707 0.389621 0.583758 F\n0.583758 0.220707 0.389621 F\n","nsites":20,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":4.60550549493669,"density_atomic":0.09362071550902791,"volume":213.627933639018,"volume_molar":6.432487433210527,"formula_full":"Li1 Mn7 O9 F3","formula_reduced":"LiMn7(O3F)3","formula_anonymous":"AB3C7D9","energy_above_hull":3.166366651857758,"spacegroup":146},{"id":"jvasp-101809","created_at":"2022-09-04T14:36:47.796581Z","updated_at":"2022-09-04T14:36:47.796604Z","structure_string":"H12 C16 S2 O2\n1.0\n5.198707 -0.043443 0.359426\n2.428865 5.586964 -0.149107\n-0.048824 -0.321552 11.740754\nH C S O\n12 16 2 2\ndirect\n0.231903 0.277467 0.026423 H\n0.594896 0.617270 0.676460 H\n0.094886 0.617257 0.176458 H\n0.839603 0.510879 0.866301 H\n0.206358 0.845423 0.517764 H\n0.706346 0.845423 0.017770 H\n0.339608 0.510875 0.366298 H\n0.392116 0.139628 0.843832 H\n0.955116 0.343580 0.259942 H\n0.455124 0.343583 0.759940 H\n0.731905 0.277477 0.526426 H\n0.892114 0.139628 0.343838 H\n0.892182 0.747209 0.603733 C\n0.767258 0.583756 0.611194 C\n0.267249 0.583748 0.111194 C\n0.843199 0.396402 0.526026 C\n0.343194 0.396394 0.026025 C\n0.042906 0.224283 0.327841 C\n0.542909 0.224284 0.827839 C\n0.392170 0.747202 0.103735 C\n0.181939 0.527807 0.435836 C\n0.539823 0.373943 0.934307 C\n0.108182 0.716950 0.520539 C\n0.608172 0.716949 0.020543 C\n0.681933 0.527807 0.935838 C\n0.303987 0.022601 0.274954 C\n0.803993 0.022603 0.774953 C\n0.039826 0.373945 0.434306 C\n0.590749 0.878840 0.334339 S\n0.090746 0.878836 0.834342 S\n0.249768 0.968941 0.168181 O\n0.749786 0.968950 0.668178 O\n","nsites":32,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.4593146845187301,"density_atomic":0.0936174330978175,"volume":341.81667816681477,"volume_molar":6.432712968863054,"formula_full":"H12 C16 S2 O2","formula_reduced":"H6C8SO","formula_anonymous":"ABC6D8","energy_above_hull":5.30128584375,"spacegroup":1},{"id":"jvasp-43381","created_at":"2022-09-04T14:38:12.497209Z","updated_at":"2022-09-04T14:38:12.497233Z","structure_string":"Li4 Ti6 Nb2 O16\n1.0\n5.945757 -0.000015 0.000004\n-2.972892 5.149200 -0.000007\n-0.000039 0.000068 9.769822\nLi Ti Nb O\n4 6 2 16\ndirect\n0.333348 0.666686 0.902984 Li\n0.000027 0.000020 0.994044 Li\n-0.000026 0.999994 0.494043 Li\n0.666652 0.333338 0.402984 Li\n0.169574 0.339163 0.216490 Ti\n0.169575 0.830432 0.216492 Ti\n0.830426 0.660857 0.716491 Ti\n0.339154 0.169591 0.716484 Ti\n0.660846 0.830435 0.216484 Ti\n0.830426 0.169589 0.716489 Ti\n0.333328 0.666674 0.486367 Nb\n0.666672 0.333346 0.986367 Nb\n0.325864 0.162942 0.096312 O\n0.837074 0.674160 0.096305 O\n0.666673 0.333349 0.605944 O\n0.515397 0.030809 0.837896 O\n0.515397 0.484610 0.837896 O\n0.674136 0.837078 0.596312 O\n0.484603 0.515412 0.337896 O\n0.030785 0.515402 0.337894 O\n0.162924 0.325857 0.596303 O\n0.000003 0.000013 0.812504 O\n-0.000003 0.000009 0.312504 O\n0.333327 0.666676 0.105944 O\n0.969215 0.484616 0.837895 O\n0.162927 0.837088 0.596305 O\n0.484604 0.969214 0.337896 O\n0.837077 0.162932 0.096302 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Nb","O"],"chemical_system":"Li-Nb-O-Ti","density":4.201260275597622,"density_atomic":0.09361061452584578,"volume":299.1113790014618,"volume_molar":6.433181525944683,"formula_full":"Li4 Ti6 Nb2 O16","formula_reduced":"Li2Ti3NbO8","formula_anonymous":"AB2C3D8","energy_above_hull":3.1175687428571432,"spacegroup":186},{"id":"jvasp-59742","created_at":"2022-09-04T14:37:40.265906Z","updated_at":"2022-09-04T14:37:40.265932Z","structure_string":"Cu6 Pb1 O8\n1.0\n5.279961 -0.000000 3.048387\n1.759987 4.977995 3.048387\n-0.000000 -0.000000 6.096773\nCu Pb O\n6 1 8\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 O\n0.748232 0.251768 0.251768 O\n0.748232 0.748233 0.251768 O\n0.251768 0.251768 0.748232 O\n0.748232 0.251768 0.748232 O\n0.251768 0.748233 0.251768 O\n0.750000 0.750001 0.750000 O\n0.251768 0.748233 0.748232 O\n","nsites":15,"nelements":3,"elements":["Cu","Pb","O"],"chemical_system":"Cu-O-Pb","density":7.424421832453974,"density_atomic":0.09360651206658294,"volume":160.24526145499792,"volume_molar":6.4334634707,"formula_full":"Cu6 Pb1 O8","formula_reduced":"Cu6PbO8","formula_anonymous":"AB6C8","energy_above_hull":1.3705341013333334,"spacegroup":225},{"id":"jvasp-103995","created_at":"2022-09-04T14:36:45.050952Z","updated_at":"2022-09-04T14:36:45.050987Z","structure_string":"Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n","nsites":30,"nelements":4,"elements":["Sn","H","C","Cl"],"chemical_system":"C-Cl-H-Sn","density":2.5462425733982155,"density_atomic":0.09360462975895555,"volume":320.4969676954443,"volume_molar":6.433592842050461,"formula_full":"Sn2 H16 C8 Cl4","formula_reduced":"SnH8(C2Cl)2","formula_anonymous":"AB2C4D8","energy_above_hull":3.736448655666667,"spacegroup":13},{"id":"jvasp-48377","created_at":"2022-09-04T14:36:46.325826Z","updated_at":"2022-09-04T14:36:46.325853Z","structure_string":"Co4 O2 F6\n1.0\n-0.120215 4.613947 3.013126\n-0.120215 4.613947 -3.013126\n-4.613947 0.120215 -3.013126\nCo O F\n4 2 6\ndirect\n0.250000 0.250000 0.500000 Co\n0.749999 0.750001 0.499999 Co\n-0.000001 0.960324 0.039677 Co\n0.499999 0.539678 0.960322 Co\n0.499999 0.827195 0.672806 O\n-0.000001 0.672808 0.327193 O\n0.046378 0.750001 0.796379 F\n0.546378 0.250000 0.796379 F\n-0.000001 0.277998 0.722003 F\n0.500000 0.222003 0.277997 F\n0.953621 0.250001 0.203620 F\n0.453621 0.750001 0.203620 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":4.944230567436954,"density_atomic":0.09360168656673921,"volume":128.20281813451987,"volume_molar":6.433795138622995,"formula_full":"Co4 O2 F6","formula_reduced":"Co2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.3076143579166668,"spacegroup":74},{"id":"jvasp-120244","created_at":"2022-09-04T14:38:46.197574Z","updated_at":"2022-09-04T14:38:46.197593Z","structure_string":"Hf1 O2\n1.0\n3.639459 0.285890 -0.219262\n2.114155 -2.866840 0.773155\n-0.288257 1.191021 -3.247029\nHf O\n1 2\ndirect\n0.750783 0.074156 0.872217 Hf\n0.005398 0.564536 0.109280 O\n0.496117 0.583790 0.635133 O\n","nsites":3,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":10.903830529003063,"density_atomic":0.09358845072735546,"volume":32.05523733627866,"volume_molar":6.434705044475918,"formula_full":"Hf1 O2","formula_reduced":"HfO2","formula_anonymous":"AB2","energy_above_hull":1.8172999999999997,"spacegroup":166},{"id":"jvasp-113161","created_at":"2022-09-04T14:38:46.001415Z","updated_at":"2022-09-04T14:38:46.001439Z","structure_string":"Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n","nsites":20,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":2.731578570769716,"density_atomic":0.09358652443683248,"volume":213.70598085944818,"volume_molar":6.434837489947313,"formula_full":"Li2 Fe2 P2 H4 O10","formula_reduced":"LiFePH2O5","formula_anonymous":"ABCD2E5","energy_above_hull":2.73921585,"spacegroup":1},{"id":"jvasp-29891","created_at":"2022-09-04T14:37:35.095744Z","updated_at":"2022-09-04T14:37:35.095762Z","structure_string":"Mn4 H8 S4 O16\n1.0\n4.851728 -0.164297 0.000000\n-0.234196 5.954803 0.000000\n0.000000 0.000000 11.850946\nMn H S O\n4 8 4 16\ndirect\n0.631665 0.795715 0.721239 Mn\n0.368335 0.204284 0.278762 Mn\n0.131665 0.295716 0.778762 Mn\n0.868335 0.704283 0.221239 Mn\n0.972453 0.743183 0.516892 H\n0.527546 0.756816 0.016892 H\n0.609680 0.414838 0.893352 H\n0.472453 0.243183 0.983109 H\n0.890320 0.085160 0.393351 H\n0.390320 0.585161 0.106649 H\n0.109679 0.914839 0.606649 H\n0.027547 0.256816 0.483109 H\n0.568516 0.288522 0.599071 S\n0.931484 0.211477 0.099071 S\n0.431484 0.711477 0.400929 S\n0.068515 0.788522 0.900929 S\n0.449057 0.305597 0.906670 O\n0.050943 0.194403 0.406670 O\n0.550943 0.694402 0.093330 O\n0.949057 0.805596 0.593330 O\n0.874167 0.289152 0.627675 O\n0.125832 0.710847 0.372325 O\n0.374167 0.789152 0.872325 O\n0.075078 0.426761 0.156872 O\n0.575077 0.926761 0.343128 O\n0.924922 0.573238 0.843129 O\n0.951164 0.973804 0.823753 O\n0.548835 0.526194 0.323753 O\n0.048836 0.026195 0.176247 O\n0.451164 0.473805 0.676247 O\n0.625833 0.210847 0.127675 O\n0.424922 0.073238 0.656872 O\n","nsites":32,"nelements":4,"elements":["Mn","H","S","O"],"chemical_system":"H-Mn-O-S","density":2.9724143410552637,"density_atomic":0.09358621921423667,"volume":341.93068454604315,"volume_molar":6.434858476560715,"formula_full":"Mn4 H8 S4 O16","formula_reduced":"MnH2SO4","formula_anonymous":"ABC2D4","energy_above_hull":2.8943914051724136,"spacegroup":14},{"id":"jvasp-97013","created_at":"2022-09-04T14:36:31.357282Z","updated_at":"2022-09-04T14:36:31.357299Z","structure_string":"Li4 Al4 Si4 H8 O20\n1.0\n10.547526 0.000000 0.000000\n0.000000 8.136637 0.000000\n0.000000 0.000000 4.980353\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.811682 0.319878 0.751440 Li\n0.188318 0.680122 0.251440 Li\n0.688319 0.819878 0.251440 Li\n0.311682 0.180122 0.751440 Li\n0.655936 0.417430 0.245452 Al\n0.344065 0.582570 0.745452 Al\n0.844065 0.917431 0.745452 Al\n0.155935 0.082570 0.245452 Al\n0.858019 0.128774 0.244335 Si\n0.141981 0.871227 0.744335 Si\n0.641981 0.628774 0.744335 Si\n0.358019 0.371226 0.244335 Si\n0.482310 0.958693 0.113332 H\n0.982310 0.541308 0.113332 H\n0.017690 0.458693 0.613332 H\n0.517690 0.041308 0.613332 H\n0.469651 0.829197 0.360903 H\n0.969651 0.670804 0.360903 H\n0.030349 0.329196 0.860902 H\n0.530349 0.170804 0.860902 H\n0.019616 0.579720 0.284751 O\n0.980384 0.420281 0.784751 O\n0.170540 0.893330 0.067190 O\n0.829460 0.106671 0.567189 O\n0.329460 0.393330 0.567189 O\n0.670541 0.606671 0.067190 O\n0.184009 0.042761 0.590099 O\n0.815991 0.957240 0.090099 O\n0.315991 0.542761 0.090099 O\n0.272818 0.218817 0.127007 O\n0.727182 0.781184 0.627006 O\n0.227182 0.718817 0.627006 O\n0.772818 0.281184 0.127007 O\n0.006646 0.167826 0.179189 O\n0.993354 0.832174 0.679189 O\n0.493354 0.667826 0.679189 O\n0.506647 0.332174 0.179189 O\n0.519617 0.920281 0.284751 O\n0.684009 0.457239 0.590099 O\n0.480384 0.079719 0.784751 O\n","nsites":40,"nelements":5,"elements":["Li","Al","Si","H","O"],"chemical_system":"Al-H-Li-O-Si","density":2.2380974560215425,"density_atomic":0.09358458514524011,"volume":427.4208186948882,"volume_molar":6.4349708348376415,"formula_full":"Li4 Al4 Si4 H8 O20","formula_reduced":"LiAlSiH2O5","formula_anonymous":"ABCD2E5","energy_above_hull":2.48131389,"spacegroup":33},{"id":"jvasp-9481","created_at":"2022-09-04T14:38:31.431737Z","updated_at":"2022-09-04T14:38:31.431761Z","structure_string":"Mg2 Ti2 Si2 O10\n1.0\n5.426538 -0.149801 -0.021864\n-1.503961 4.905376 0.050567\n-1.810474 -2.078394 6.465508\nMg Ti Si O\n2 2 2 10\ndirect\n0.275543 0.153269 0.707732 Mg\n0.691585 0.852217 0.215920 Mg\n0.994697 0.512506 0.502148 Ti\n0.005262 0.492056 0.005718 Ti\n0.675684 0.807663 0.772867 Si\n0.332514 0.193540 0.255626 Si\n0.633659 0.519518 0.854211 O\n0.879224 0.807545 0.632694 O\n0.358619 0.474403 0.170012 O\n0.146819 0.204149 0.410829 O\n0.630385 0.191550 0.387168 O\n0.217985 0.898981 0.059278 O\n0.382374 0.810735 0.635713 O\n0.791786 0.079961 0.988106 O\n0.928338 0.614188 0.264874 O\n0.054194 0.389717 0.759070 O\n","nsites":16,"nelements":4,"elements":["Mg","Ti","Si","O"],"chemical_system":"Mg-O-Si-Ti","density":3.501396426283535,"density_atomic":0.09358280494712641,"volume":170.97157975805365,"volume_molar":6.4350932453910366,"formula_full":"Mg2 Ti2 Si2 O10","formula_reduced":"MgTiSiO5","formula_anonymous":"ABCD5","energy_above_hull":2.262227935416666,"spacegroup":1},{"id":"jvasp-21076","created_at":"2022-09-04T14:38:31.265475Z","updated_at":"2022-09-04T14:38:31.265500Z","structure_string":"Li2 Ti4 O8\n1.0\n5.160405 -0.000000 2.979361\n1.720135 4.865277 2.979361\n0.000000 0.000000 5.958722\nLi Ti O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.875001 0.875001 0.874998 Li\n0.500001 0.500000 0.499999 Ti\n0.500000 0.000000 0.499999 Ti\n0.000000 0.500000 0.499999 Ti\n0.500001 0.500000 -0.000001 Ti\n0.261918 0.261918 0.714248 O\n0.738084 0.738083 0.738081 O\n0.738084 0.738083 0.285750 O\n0.261918 0.714249 0.261917 O\n0.261918 0.261918 0.261917 O\n0.285752 0.738083 0.738081 O\n0.738083 0.285752 0.738081 O\n0.714249 0.261918 0.261917 O\n","nsites":14,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":3.699975261639829,"density_atomic":0.09358011028368843,"volume":149.6044400627329,"volume_molar":6.435278545562577,"formula_full":"Li2 Ti4 O8","formula_reduced":"LiTi2O4","formula_anonymous":"AB2C4","energy_above_hull":2.4940058095238093,"spacegroup":227}]}