{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3451","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3449","results":[{"id":"jvasp-38510","created_at":"2022-09-04T14:37:45.498110Z","updated_at":"2022-09-04T14:37:45.498126Z","structure_string":"Pr1 Al8 Fe4\n1.0\n-0.000000 -0.000000 -5.062447\n4.399683 4.399683 2.531225\n4.399683 -4.399683 -2.531225\nPr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.225070 0.225070 Al\n0.274929 0.774929 0.225071 Al\n-0.000000 0.342348 0.342348 Al\n0.657653 0.657653 0.342348 Al\n0.342347 0.342348 0.657653 Al\n0.000000 0.657653 0.657653 Al\n0.725072 0.225071 0.774929 Al\n0.500000 0.774929 0.774929 Al\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.499999 0.000000 0.500000 Fe\n","nsites":13,"nelements":3,"elements":["Pr","Al","Fe"],"chemical_system":"Al-Fe-Pr","density":4.915284036838038,"density_atomic":0.0663300148151831,"volume":195.98970445313802,"volume_molar":9.079058367135355,"formula_full":"Pr1 Al8 Fe4","formula_reduced":"Pr(Al2Fe)4","formula_anonymous":"AB4C8","energy_above_hull":2.703525711538462,"spacegroup":139},{"id":"jvasp-23468","created_at":"2022-09-04T14:37:38.448778Z","updated_at":"2022-09-04T14:37:38.448803Z","structure_string":"Mg1 Fe6 Ge6\n1.0\n2.539813 -4.399086 -0.000000\n2.539813 4.399086 0.000000\n-0.000000 -0.000000 7.769599\nMg Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 0.249128 Fe\n0.499999 0.499999 0.249128 Fe\n-0.000001 0.500000 0.249128 Fe\n0.500000 -0.000001 0.750872 Fe\n0.499999 0.499999 0.750872 Fe\n-0.000001 0.500000 0.750872 Fe\n0.000000 0.000000 0.337392 Ge\n0.000000 0.000000 0.662608 Ge\n0.333332 0.666667 0.000000 Ge\n0.666667 0.333332 0.000000 Ge\n0.333332 0.666667 0.500000 Ge\n0.666667 0.333332 0.500000 Ge\n","nsites":13,"nelements":3,"elements":["Mg","Fe","Ge"],"chemical_system":"Fe-Ge-Mg","density":7.605729339244176,"density_atomic":0.07487736584820996,"volume":173.61721867130535,"volume_molar":8.042671763063854,"formula_full":"Mg1 Fe6 Ge6","formula_reduced":"Mg(FeGe)6","formula_anonymous":"AB6C6","energy_above_hull":2.317481365384615,"spacegroup":191},{"id":"jvasp-20930","created_at":"2022-09-04T14:37:59.176119Z","updated_at":"2022-09-04T14:37:59.176137Z","structure_string":"Ba3 P2 O8\n1.0\n5.259608 -0.001801 5.712720\n2.228122 4.764342 5.712720\n-0.002832 -0.001801 7.765220\nBa P O\n3 2 8\ndirect\n0.208328 0.208328 0.208328 Ba\n0.791672 0.791672 0.791672 Ba\n0.000000 0.000000 0.000000 Ba\n0.407725 0.407725 0.407724 P\n0.592276 0.592275 0.592275 P\n0.282764 0.282764 0.733266 O\n0.282764 0.733266 0.282764 O\n0.733266 0.282764 0.282763 O\n0.266734 0.717236 0.717236 O\n0.717236 0.717236 0.266734 O\n0.665442 0.665442 0.665442 O\n0.334558 0.334558 0.334558 O\n0.717236 0.266734 0.717236 O\n","nsites":13,"nelements":3,"elements":["Ba","P","O"],"chemical_system":"Ba-O-P","density":5.132977264186866,"density_atomic":0.06676089261028027,"volume":194.72477811056373,"volume_molar":9.020461717242936,"formula_full":"Ba3 P2 O8","formula_reduced":"Ba3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.0801736084615388,"spacegroup":166},{"id":"jvasp-12359","created_at":"2022-09-04T14:37:45.294988Z","updated_at":"2022-09-04T14:37:45.295011Z","structure_string":"K2 Pb1 S2 O8\n1.0\n5.169288 0.023946 5.586138\n2.204003 4.675948 5.586138\n0.037567 0.023946 7.610852\nK Pb S O\n2 1 2 8\ndirect\n0.798793 0.798796 0.798793 K\n0.201206 0.201207 0.201206 K\n0.000000 0.000000 0.000000 Pb\n0.597489 0.597491 0.597489 S\n0.402510 0.402511 0.402510 S\n0.719951 0.719953 0.278890 O\n0.719951 0.278892 0.719951 O\n0.278890 0.719953 0.719951 O\n0.721109 0.280050 0.280048 O\n0.280048 0.280050 0.721109 O\n0.331234 0.331235 0.331234 O\n0.668765 0.668767 0.668765 O\n0.280048 0.721110 0.280049 O\n","nsites":13,"nelements":4,"elements":["K","Pb","S","O"],"chemical_system":"K-O-Pb-S","density":4.352294680897387,"density_atomic":0.07135416763872834,"volume":182.18977853991657,"volume_molar":8.439788395389268,"formula_full":"K2 Pb1 S2 O8","formula_reduced":"K2Pb(SO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":1.8894942169230768,"spacegroup":166},{"id":"jvasp-59672","created_at":"2022-09-04T14:37:39.625149Z","updated_at":"2022-09-04T14:37:39.625171Z","structure_string":"Nd1 Mn12\n1.0\n4.301302 0.000000 1.689321\n2.150651 5.908660 0.844660\n-0.009336 0.000000 6.344362\nNd Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.732679 0.767319 0.767319 Mn\n0.499999 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.367162 0.632837 0.632837 Mn\n-0.000001 0.367163 0.632837 Mn\n-0.000001 0.632837 0.367163 Mn\n0.632836 0.367163 0.367163 Mn\n0.267319 0.232681 0.232681 Mn\n0.499999 0.767319 0.232681 Mn\n0.499999 0.232681 0.767319 Mn\n","nsites":13,"nelements":2,"elements":["Nd","Mn"],"chemical_system":"Mn-Nd","density":8.270016440898418,"density_atomic":0.08057782413065746,"volume":161.33471138312714,"volume_molar":7.473694934024354,"formula_full":"Nd1 Mn12","formula_reduced":"NdMn12","formula_anonymous":"AB12","energy_above_hull":4.96511526127321,"spacegroup":139},{"id":"jvasp-35117","created_at":"2022-09-04T14:37:40.190837Z","updated_at":"2022-09-04T14:37:40.190858Z","structure_string":"Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n","nsites":13,"nelements":4,"elements":["Ba","Al","Si","O"],"chemical_system":"Al-Ba-O-Si","density":3.207145827644211,"density_atomic":0.0668734290219319,"volume":194.39708999723197,"volume_molar":9.005281840751683,"formula_full":"Ba1 Al2 Si2 O8","formula_reduced":"BaAl2(SiO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.4640059053846155,"spacegroup":147},{"id":"jvasp-26131","created_at":"2022-09-04T14:37:39.433581Z","updated_at":"2022-09-04T14:37:39.433609Z","structure_string":"Ba3 Nb2 O8\n1.0\n5.656122 0.013032 5.693233\n2.355726 5.142222 5.693233\n0.020253 0.013032 8.025223\nBa Nb O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.800285 0.800284 0.800285 Ba\n0.199715 0.199715 0.199715 Ba\n0.405952 0.405952 0.405952 Nb\n0.594048 0.594047 0.594048 Nb\n0.267186 0.267185 0.770896 O\n0.770896 0.267185 0.267186 O\n0.267186 0.770895 0.267185 O\n0.732814 0.732814 0.229104 O\n0.229105 0.732814 0.732814 O\n0.732814 0.229104 0.732814 O\n0.319588 0.319588 0.319588 O\n0.680412 0.680411 0.680411 O\n","nsites":13,"nelements":3,"elements":["Ba","Nb","O"],"chemical_system":"Ba-Nb-O","density":5.18742546018862,"density_atomic":0.05595459623452678,"volume":232.33122700970094,"volume_molar":10.76254886150718,"formula_full":"Ba3 Nb2 O8","formula_reduced":"Ba3Nb2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.5576688238461536,"spacegroup":166},{"id":"jvasp-56282","created_at":"2022-09-04T14:37:46.167383Z","updated_at":"2022-09-04T14:37:46.167417Z","structure_string":"Tl2 Hg2 Pd1 Cl8\n1.0\n6.330982 0.012627 1.868810\n2.763475 5.696026 1.868810\n-0.023695 -0.014873 9.771913\nTl Hg Pd Cl\n2 2 1 8\ndirect\n0.397409 0.397409 0.836112 Tl\n0.602592 0.602593 0.163887 Tl\n0.134236 0.134236 0.596767 Hg\n0.865765 0.865766 0.403232 Hg\n0.000000 0.000000 0.000000 Pd\n0.895306 0.380469 0.870562 Cl\n0.380468 0.895307 0.870561 Cl\n0.352878 0.352878 0.494579 Cl\n0.104695 0.619533 0.129438 Cl\n0.914694 0.914695 0.695936 Cl\n0.647123 0.647124 0.505420 Cl\n0.619532 0.104695 0.129438 Cl\n0.085307 0.085307 0.304063 Cl\n","nsites":13,"nelements":4,"elements":["Tl","Hg","Pd","Cl"],"chemical_system":"Cl-Hg-Pd-Tl","density":5.654473567041538,"density_atomic":0.03688999437416294,"volume":352.3990778677092,"volume_molar":16.324591158565735,"formula_full":"Tl2 Hg2 Pd1 Cl8","formula_reduced":"Tl2Hg2PdCl8","formula_anonymous":"AB2C2D8","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-54486","created_at":"2022-09-04T14:37:46.242285Z","updated_at":"2022-09-04T14:37:46.242311Z","structure_string":"Ba1 Co2 P2 O8\n1.0\n4.814443 -0.003360 -0.006183\n-2.404793 4.174879 -0.003106\n-2.394770 -1.376480 7.882704\nBa Co P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.336524 0.167848 0.505320 Co\n0.663476 0.832152 0.494679 Co\n0.149367 0.574671 0.724277 P\n0.850633 0.425329 0.275722 P\n0.902226 0.144011 0.340630 O\n0.278542 0.639197 0.917782 O\n0.721458 0.360803 0.082217 O\n0.583063 0.438950 0.341057 O\n0.097774 0.855989 0.659369 O\n0.802972 0.241957 0.659370 O\n0.197028 0.758043 0.340629 O\n0.416936 0.561050 0.658943 O\n","nsites":13,"nelements":4,"elements":["Ba","Co","P","O"],"chemical_system":"Ba-Co-O-P","density":4.670180077447103,"density_atomic":0.08213628417003566,"volume":158.273534423445,"volume_molar":7.331888483697624,"formula_full":"Ba1 Co2 P2 O8","formula_reduced":"BaCo2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.817330520769231,"spacegroup":148},{"id":"jvasp-57071","created_at":"2022-09-04T14:37:40.437075Z","updated_at":"2022-09-04T14:37:40.437100Z","structure_string":"Ba1 Pb2 C2 O6 F2\n1.0\n4.924220 -0.022563 6.705105\n2.181344 4.414768 6.705105\n-0.036502 -0.022563 8.318956\nBa Pb C O F\n1 2 2 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.214478 0.214479 0.214478 Pb\n0.785521 0.785523 0.785523 Pb\n0.431161 0.431162 0.431162 C\n0.568838 0.568840 0.568839 C\n0.719179 0.288600 0.288600 O\n0.280820 0.711402 0.711401 O\n0.288599 0.288600 0.719179 O\n0.711400 0.711402 0.280822 O\n0.711400 0.280822 0.711401 O\n0.288599 0.719180 0.288600 O\n0.311364 0.311365 0.311365 F\n0.688635 0.688637 0.688636 F\n","nsites":13,"nelements":5,"elements":["Ba","Pb","C","O","F"],"chemical_system":"Ba-C-F-O-Pb","density":6.448689705972522,"density_atomic":0.0711320737395269,"volume":182.7586251400979,"volume_molar":8.466139736136494,"formula_full":"Ba1 Pb2 C2 O6 F2","formula_reduced":"BaPb2C2(O3F)2","formula_anonymous":"AB2C2D2E6","energy_above_hull":2.342168398076922,"spacegroup":166},{"id":"jvasp-21126","created_at":"2022-09-04T14:37:40.140592Z","updated_at":"2022-09-04T14:37:40.140615Z","structure_string":"Tm1 Mn6 Ga2 Sn4\n1.0\n2.674262 -4.631957 0.000000\n2.674262 4.631957 0.000000\n-0.000000 0.000000 8.738650\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 -0.000000 0.234960 Mn\n-0.000000 0.500000 0.765040 Mn\n0.500000 0.500000 0.765040 Mn\n0.500000 0.500000 0.234960 Mn\n-0.000000 0.500000 0.234960 Mn\n0.500000 -0.000000 0.765040 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.330850 Sn\n0.000000 0.000000 0.669149 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n","nsites":13,"nelements":4,"elements":["Tm","Mn","Ga","Sn"],"chemical_system":"Ga-Mn-Sn-Tm","density":8.535762468108954,"density_atomic":0.06004827541574523,"volume":216.49247892623535,"volume_molar":10.028832165962482,"formula_full":"Tm1 Mn6 Ga2 Sn4","formula_reduced":"TmMn6(GaSn2)2","formula_anonymous":"AB2C4D6","energy_above_hull":2.5970283960212206,"spacegroup":191},{"id":"jvasp-29434","created_at":"2022-09-04T14:37:53.702783Z","updated_at":"2022-09-04T14:37:53.702809Z","structure_string":"Cu3 Se2 Cl2 O6\n1.0\n5.319048 0.075549 1.535571\n1.616304 5.068091 1.535571\n-0.021577 -0.016002 7.616257\nCu Se Cl O\n3 2 2 6\ndirect\n0.593942 0.593942 0.156312 Cu\n0.000000 0.000000 0.000000 Cu\n0.406057 0.406058 0.843689 Cu\n0.166018 0.166019 0.265122 Se\n0.833981 0.833982 0.734879 Se\n0.294526 0.294527 0.623945 Cl\n0.705473 0.705473 0.376055 Cl\n0.725948 0.107304 0.852557 O\n0.274051 0.892696 0.147444 O\n0.354871 0.354871 0.131963 O\n0.645128 0.645129 0.868037 O\n0.892696 0.274052 0.147443 O\n0.107303 0.725948 0.852557 O\n","nsites":13,"nelements":4,"elements":["Cu","Se","Cl","O"],"chemical_system":"Cl-Cu-O-Se","density":4.182651932857679,"density_atomic":0.06352587765810433,"volume":204.64101369784888,"volume_molar":9.479822998134878,"formula_full":"Cu3 Se2 Cl2 O6","formula_reduced":"Cu3Se2(ClO3)2","formula_anonymous":"A2B2C3D6","energy_above_hull":1.474209786025641,"spacegroup":12}]}