{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3412","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3410","results":[{"id":"jvasp-12614","created_at":"2022-09-04T14:36:53.341624Z","updated_at":"2022-09-04T14:36:53.341646Z","structure_string":"Co2 P2 O7\n1.0\n4.509415 0.002107 -0.607826\n-0.901805 5.022954 -1.247736\n-0.023183 0.036721 5.253407\nCo P O\n2 2 7\ndirect\n0.500000 0.316984 0.683015 Co\n0.500000 0.683015 0.316984 Co\n0.904393 0.217493 0.217492 P\n0.095608 0.782506 0.782507 P\n0.000000 0.000000 0.000000 O\n0.279948 0.618966 0.928266 O\n0.720053 0.071734 0.381033 O\n0.720053 0.381034 0.071733 O\n0.791852 0.621931 0.621930 O\n0.208148 0.378069 0.378069 O\n0.279948 0.928265 0.618966 O\n","nsites":11,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":4.066520201657261,"density_atomic":0.09231383151572944,"volume":119.1587416467022,"volume_molar":6.523551954371953,"formula_full":"Co2 P2 O7","formula_reduced":"Co2P2O7","formula_anonymous":"A2B2C7","energy_above_hull":3.076853390909091,"spacegroup":12},{"id":"jvasp-57549","created_at":"2022-09-04T14:37:17.722838Z","updated_at":"2022-09-04T14:37:17.722865Z","structure_string":"Co2 P2 O7\n1.0\n4.549880 0.018894 0.013687\n-0.746690 5.196176 0.044077\n-0.733885 -1.370617 5.022843\nCo P O\n2 2 7\ndirect\n0.499631 0.317229 0.683242 Co\n0.500368 0.682771 0.316758 Co\n0.095620 0.782478 0.782545 P\n0.904379 0.217521 0.217456 P\n0.720024 0.071481 0.380727 O\n0.279934 0.618690 0.928014 O\n0.208142 0.378203 0.377952 O\n0.000000 0.000000 0.000000 O\n0.279974 0.928518 0.619273 O\n0.791856 0.621796 0.622048 O\n0.720064 0.381310 0.071986 O\n","nsites":11,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":4.066434159930201,"density_atomic":0.0923118782876373,"volume":119.16126292788427,"volume_molar":6.523689986282626,"formula_full":"Co2 P2 O7","formula_reduced":"Co2P2O7","formula_anonymous":"A2B2C7","energy_above_hull":3.076853390909091,"spacegroup":12},{"id":"jvasp-105667","created_at":"2022-09-04T14:35:41.330637Z","updated_at":"2022-09-04T14:35:41.330656Z","structure_string":"Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n","nsites":10,"nelements":4,"elements":["Rb","Y","Ag","Br"],"chemical_system":"Ag-Br-Rb-Y","density":4.066338518623428,"density_atomic":0.028906965206048317,"volume":345.93738667204195,"volume_molar":20.832836366855844,"formula_full":"Rb2 Y1 Ag1 Br6","formula_reduced":"Rb2YAgBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-52409","created_at":"2022-09-04T14:37:03.240383Z","updated_at":"2022-09-04T14:37:03.240399Z","structure_string":"Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n","nsites":18,"nelements":4,"elements":["Zn","P","H","O"],"chemical_system":"H-O-P-Zn","density":4.066187532051594,"density_atomic":0.09076910078758219,"volume":198.3053687192913,"volume_molar":6.634571354951517,"formula_full":"Zn4 P2 H2 O10","formula_reduced":"Zn2PHO5","formula_anonymous":"ABC2D5","energy_above_hull":1.6949793111111109,"spacegroup":2},{"id":"jvasp-71999","created_at":"2022-09-04T14:36:00.676628Z","updated_at":"2022-09-04T14:36:00.676654Z","structure_string":"Be1 V1 Si2\n1.0\n-1.762670 1.762670 3.815852\n1.762670 -1.762670 3.815852\n1.762670 1.762670 -3.815852\nBe V Si\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 V\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n","nsites":4,"nelements":3,"elements":["Be","V","Si"],"chemical_system":"Be-Si-V","density":4.066119104112468,"density_atomic":0.08434638073016197,"volume":47.42349304585649,"volume_molar":7.139773761325723,"formula_full":"Be1 V1 Si2","formula_reduced":"BeVSi2","formula_anonymous":"ABC2","energy_above_hull":3.099651875,"spacegroup":139},{"id":"jvasp-91316","created_at":"2022-09-04T14:36:19.654256Z","updated_at":"2022-09-04T14:36:19.654274Z","structure_string":"Cr2 S2 Br2\n1.0\n3.542048 -0.000000 0.000000\n-0.000000 4.736949 0.000000\n0.000000 0.000000 7.981824\nCr S Br\n2 2 2\ndirect\n0.750000 0.250000 0.872122 Cr\n0.250000 0.750000 0.127878 Cr\n0.750000 0.750000 0.926488 S\n0.250000 0.250000 0.073511 S\n0.250000 0.250000 0.648644 Br\n0.750000 0.750000 0.351355 Br\n","nsites":6,"nelements":3,"elements":["Cr","S","Br"],"chemical_system":"Br-Cr-S","density":4.066073387649811,"density_atomic":0.044801850435329,"volume":133.9230398231193,"volume_molar":13.441723280365165,"formula_full":"Cr2 S2 Br2","formula_reduced":"CrSBr","formula_anonymous":"ABC","energy_above_hull":1.691243835,"spacegroup":59},{"id":"jvasp-106617","created_at":"2022-09-04T14:36:52.823720Z","updated_at":"2022-09-04T14:36:52.823754Z","structure_string":"Yb1 Mg3\n1.0\n4.518713 -0.000000 2.608880\n1.506238 4.260284 2.608880\n-0.000000 -0.000000 5.217761\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.749999 0.750000 Mg\n","nsites":4,"nelements":2,"elements":["Yb","Mg"],"chemical_system":"Mg-Yb","density":4.0659989409844774,"density_atomic":0.03982194785400793,"volume":100.44712063469329,"volume_molar":15.12266748497059,"formula_full":"Yb1 Mg3","formula_reduced":"YbMg3","formula_anonymous":"AB3","energy_above_hull":0.000535,"spacegroup":225},{"id":"jvasp-56694","created_at":"2022-09-04T14:38:33.512478Z","updated_at":"2022-09-04T14:38:33.512511Z","structure_string":"Ba2 Fe4 P4 O14 F4\n1.0\n4.587583 0.000000 0.000000\n0.000000 6.929157 0.000000\n0.000000 0.000000 11.844402\nBa Fe P O F\n2 4 4 14 4\ndirect\n0.381628 0.000000 0.000000 Ba\n0.618372 0.500000 0.500000 Ba\n0.000000 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 Fe\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.512426 0.000000 0.374871 P\n0.487574 0.500000 0.874871 P\n0.512426 0.000000 0.625129 P\n0.487574 0.500000 0.125129 P\n0.249347 0.000000 0.704195 O\n0.750652 0.500000 0.795805 O\n0.367339 0.000000 0.500000 O\n0.632660 0.500000 0.000000 O\n0.306432 0.684128 0.865838 O\n0.306432 0.315872 0.134162 O\n0.693567 0.184128 0.365838 O\n0.306432 0.315872 0.865838 O\n0.249347 0.000000 0.295805 O\n0.693567 0.815872 0.365838 O\n0.693567 0.815872 0.634162 O\n0.306432 0.684128 0.134162 O\n0.750652 0.500000 0.204195 O\n0.693567 0.184128 0.634162 O\n0.864244 0.000000 0.864552 F\n0.135755 0.500000 0.635448 F\n0.135755 0.500000 0.364552 F\n0.864244 0.000000 0.135448 F\n","nsites":28,"nelements":5,"elements":["Ba","Fe","P","O","F"],"chemical_system":"Ba-F-Fe-O-P","density":4.0659511368506065,"density_atomic":0.07436705031388613,"volume":376.51083217390595,"volume_molar":8.097861532199994,"formula_full":"Ba2 Fe4 P4 O14 F4","formula_reduced":"BaFe2P2O7F2","formula_anonymous":"AB2C2D2E7","energy_above_hull":2.4062645025,"spacegroup":59},{"id":"jvasp-37113","created_at":"2022-09-04T14:38:00.460976Z","updated_at":"2022-09-04T14:38:00.460990Z","structure_string":"Rb1 Sn1 S2\n1.0\n-2.030878 -3.517586 0.000000\n-4.061757 -0.000000 0.000000\n-2.030878 -1.172529 -7.669651\nRb Sn S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 Sn\n0.768060 0.768060 0.695823 S\n0.231941 0.231941 0.304177 S\n","nsites":4,"nelements":3,"elements":["Rb","Sn","S"],"chemical_system":"Rb-S-Sn","density":4.065819849311111,"density_atomic":0.03650276204540453,"volume":109.5807488492114,"volume_molar":16.497767353903978,"formula_full":"Rb1 Sn1 S2","formula_reduced":"RbSnS2","formula_anonymous":"ABC2","energy_above_hull":0.6135279249999999,"spacegroup":166},{"id":"jvasp-12926","created_at":"2022-09-04T14:37:07.044972Z","updated_at":"2022-09-04T14:37:07.044996Z","structure_string":"Ca2 In2 Br6\n1.0\n4.245547 -0.000000 0.000000\n-2.122773 6.986158 -0.000000\n-0.000000 0.000000 10.868456\nCa In Br\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.758867 0.517731 0.750000 In\n0.241135 0.482269 0.250000 In\n0.863668 0.727333 0.451586 Br\n0.136334 0.272668 0.548414 Br\n0.136334 0.272668 0.951586 Br\n0.863668 0.727333 0.048414 Br\n0.433832 0.867662 0.750000 Br\n0.566169 0.132338 0.250000 Br\n","nsites":10,"nelements":3,"elements":["Ca","In","Br"],"chemical_system":"Br-Ca-In","density":4.065416735680573,"density_atomic":0.03102130701707613,"volume":322.3590803087489,"volume_molar":19.412917568834303,"formula_full":"Ca2 In2 Br6","formula_reduced":"CaInBr3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":63},{"id":"jvasp-118341","created_at":"2022-09-04T14:38:38.964075Z","updated_at":"2022-09-04T14:38:38.964108Z","structure_string":"Ti2 O3 F1\n1.0\n2.974585 0.000000 0.000000\n0.000000 3.250099 3.437730\n0.000000 -3.250099 3.437730\nTi O F\n2 3 1\ndirect\n0.000000 0.017291 0.017291 Ti\n0.500001 0.479864 0.479864 Ti\n0.500001 0.201774 0.201774 O\n0.000000 0.301120 0.699255 O\n0.000000 0.699255 0.301120 O\n0.500001 0.800697 0.800697 F\n","nsites":6,"nelements":3,"elements":["Ti","O","F"],"chemical_system":"F-O-Ti","density":4.065309344843285,"density_atomic":0.09026648203089827,"volume":66.46985531070322,"volume_molar":6.671513749631472,"formula_full":"Ti2 O3 F1","formula_reduced":"Ti2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.1790929081944443,"spacegroup":38},{"id":"jvasp-118988","created_at":"2022-09-04T14:38:31.735106Z","updated_at":"2022-09-04T14:38:31.735132Z","structure_string":"Li8 Mn6 O14\n1.0\n2.941592 -0.018723 0.331105\n0.671448 7.599524 1.247179\n-0.060814 0.015378 11.119804\nLi Mn O\n8 6 14\ndirect\n0.640833 0.163246 0.934312 Li\n0.860598 0.576947 0.199928 Li\n0.000001 0.000000 0.500000 Li\n0.139404 0.423053 0.800072 Li\n0.359168 0.836754 0.065688 Li\n0.429514 0.286499 0.355135 Li\n0.570487 0.713501 0.644865 Li\n0.500000 0.500000 0.000000 Li\n0.612240 0.935326 0.284048 Mn\n0.387761 0.064674 0.715952 Mn\n0.788340 0.357476 0.573933 Mn\n0.035546 0.226388 0.138124 Mn\n0.964456 0.773612 0.861876 Mn\n0.211662 0.642524 0.426068 Mn\n0.598890 0.056897 0.117857 O\n0.517930 0.627317 0.826451 O\n0.427945 0.175723 0.546413 O\n0.270580 0.747944 0.255064 O\n0.084314 0.310414 0.976292 O\n0.148732 0.539713 0.598237 O\n-0.012205 0.108506 0.312058 O\n0.729421 0.252056 0.744936 O\n0.572056 0.824277 0.453587 O\n0.482071 0.372683 0.173549 O\n0.401112 0.943103 0.882143 O\n0.851269 0.460287 0.401763 O\n0.915687 0.689586 0.023708 O\n0.012207 0.891494 0.687942 O\n","nsites":28,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.065225177389606,"density_atomic":0.11253064562768636,"volume":248.8211086306169,"volume_molar":5.351556215117235,"formula_full":"Li8 Mn6 O14","formula_reduced":"Li4Mn3O7","formula_anonymous":"A3B4C7","energy_above_hull":2.709439016009852,"spacegroup":2}]}