{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=528","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=526","results":[{"id":"jvasp-2853","created_at":"2022-09-04T14:37:02.474529Z","updated_at":"2022-09-04T14:37:02.474550Z","structure_string":"Rb2 Li2 S2\n1.0\n4.387471 0.000000 0.000000\n0.000000 4.387471 0.000000\n0.000000 0.000000 7.231515\nRb Li S\n2 2 2\ndirect\n0.500000 0.000000 0.656686 Rb\n0.000000 0.500000 0.343314 Rb\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.176118 S\n0.000000 0.500000 0.823883 S\n","nsites":6,"nelements":3,"elements":["Rb","Li","S"],"chemical_system":"Li-Rb-S","density":2.9696087352538414,"density_atomic":0.04310160486464862,"volume":139.2059534405208,"volume_molar":13.971964104147043,"formula_full":"Rb2 Li2 S2","formula_reduced":"RbLiS","formula_anonymous":"ABC","energy_above_hull":0.0357766666666667,"spacegroup":129},{"id":"jvasp-11301","created_at":"2022-09-04T14:36:32.061159Z","updated_at":"2022-09-04T14:36:32.061188Z","structure_string":"Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n","nsites":14,"nelements":3,"elements":["Zn","Cr","F"],"chemical_system":"Cr-F-Zn","density":4.067493932454075,"density_atomic":0.0807285665173746,"volume":173.42064406639605,"volume_molar":7.459739494697827,"formula_full":"Zn2 Cr2 F10","formula_reduced":"ZnCrF5","formula_anonymous":"ABC5","energy_above_hull":0.0357941732142853,"spacegroup":15},{"id":"jvasp-25345","created_at":"2022-09-04T14:37:46.160352Z","updated_at":"2022-09-04T14:37:46.160370Z","structure_string":"Zr1\n1.0\n2.766790 0.000000 1.597407\n0.922263 2.608555 1.597407\n0.000000 0.000000 3.194814\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n","nsites":1,"nelements":1,"elements":["Zr"],"chemical_system":"Zr","density":6.569562285881647,"density_atomic":0.04336888190699674,"volume":23.058007401354498,"volume_molar":13.885856621607859,"formula_full":"Zr1","formula_reduced":"Zr","formula_anonymous":"A","energy_above_hull":0.0358344999999999,"spacegroup":225},{"id":"jvasp-9486","created_at":"2022-09-04T14:38:17.219300Z","updated_at":"2022-09-04T14:38:17.219321Z","structure_string":"Ti2 Zn2 F8\n1.0\n-5.146193 -0.000058 -0.000790\n-0.000117 -5.146594 -0.014789\n2.569037 2.554125 5.158957\nTi Zn F\n2 2 8\ndirect\n0.002041 0.499647 -0.001730 Ti\n0.502033 -0.000347 -0.001728 Ti\n0.752303 0.749808 0.498243 Zn\n0.251749 0.249410 0.498238 Zn\n0.665526 0.663208 0.753582 F\n0.909831 0.907376 0.243168 F\n0.338659 0.336200 0.243002 F\n0.409832 0.836277 0.243106 F\n0.094195 0.091846 0.753398 F\n0.165450 0.591879 0.753500 F\n0.594216 0.163170 0.753533 F\n0.838742 0.407348 0.243101 F\n","nsites":12,"nelements":3,"elements":["Ti","Zn","F"],"chemical_system":"F-Ti-Zn","density":4.607269647498569,"density_atomic":0.08795588241230955,"volume":136.43203468470443,"volume_molar":6.846774308704103,"formula_full":"Ti2 Zn2 F8","formula_reduced":"TiZnF4","formula_anonymous":"ABC4","energy_above_hull":0.035909374074074,"spacegroup":140},{"id":"jvasp-106474","created_at":"2022-09-04T14:36:52.991594Z","updated_at":"2022-09-04T14:36:52.991610Z","structure_string":"Ba2 O2\n1.0\n4.573523 -0.000000 0.000000\n-2.286762 3.960787 0.000000\n0.000000 0.000000 5.615044\nBa O\n2 2\ndirect\n0.333334 0.666667 0.937592 Ba\n0.666666 0.333334 0.437592 Ba\n0.333334 0.666667 0.437407 O\n0.666666 0.333334 0.937407 O\n","nsites":4,"nelements":2,"elements":["Ba","O"],"chemical_system":"Ba-O","density":5.006226708047663,"density_atomic":0.03932551983579217,"volume":101.71512078422407,"volume_molar":15.313569369574974,"formula_full":"Ba2 O2","formula_reduced":"BaO","formula_anonymous":"AB","energy_above_hull":0.0359699999999998,"spacegroup":194},{"id":"jvasp-100559","created_at":"2022-09-04T14:36:39.072805Z","updated_at":"2022-09-04T14:36:39.072828Z","structure_string":"K2 Pt1 Br6\n1.0\n6.380895 0.214628 -5.437473\n-1.149950 5.893183 -5.854571\n-0.021511 -0.214628 8.383404\nK Pt Br\n2 1 6\ndirect\n0.675911 0.675911 -0.000000 K\n0.324088 0.324088 -0.000000 K\n0.000000 0.000000 0.000000 Pt\n0.798819 0.500000 0.298820 Br\n0.375859 0.127411 0.248448 Br\n0.121038 0.872589 0.248448 Br\n0.201180 0.500000 0.701179 Br\n0.878962 0.127411 0.751551 Br\n0.624140 0.872589 0.751551 Br\n","nsites":9,"nelements":3,"elements":["K","Pt","Br"],"chemical_system":"Br-K-Pt","density":4.067417746596932,"density_atomic":0.029287858726217662,"volume":307.2945715879002,"volume_molar":20.56190183206924,"formula_full":"K2 Pt1 Br6","formula_reduced":"K2PtBr6","formula_anonymous":"AB2C6","energy_above_hull":0.0359766666666666,"spacegroup":71},{"id":"jvasp-40928","created_at":"2022-09-04T14:37:37.802404Z","updated_at":"2022-09-04T14:37:37.802435Z","structure_string":"Pm2 Cu6\n1.0\n3.082681 -5.339362 -0.000000\n3.082681 5.339362 -0.000000\n-0.000000 0.000000 4.323334\nPm Cu\n2 6\ndirect\n0.333333 0.666667 0.749999 Pm\n0.666667 0.333333 0.250000 Pm\n0.863781 0.727563 0.749999 Cu\n0.863781 0.136219 0.749999 Cu\n0.272437 0.136219 0.749999 Cu\n0.136219 0.272437 0.250000 Cu\n0.136219 0.863781 0.250000 Cu\n0.727563 0.863781 0.250000 Cu\n","nsites":8,"nelements":2,"elements":["Pm","Cu"],"chemical_system":"Cu-Pm","density":7.832194820385797,"density_atomic":0.05621125103165427,"volume":142.32026245946662,"volume_molar":10.713408169138146,"formula_full":"Pm2 Cu6","formula_reduced":"PmCu3","formula_anonymous":"AB3","energy_above_hull":0.0359906312499999,"spacegroup":194},{"id":"jvasp-29646","created_at":"2022-09-04T14:38:31.016876Z","updated_at":"2022-09-04T14:38:31.016897Z","structure_string":"Mg1 Cl2\n1.0\n3.885246 0.000000 0.000000\n0.000000 3.885246 0.000000\n-0.000000 0.000000 5.224556\nMg Cl\n1 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.256456 Cl\n0.500001 0.000000 0.743544 Cl\n","nsites":3,"nelements":2,"elements":["Mg","Cl"],"chemical_system":"Cl-Mg","density":2.004701851462008,"density_atomic":0.03803950195515912,"volume":78.86538587009875,"volume_molar":15.83128182671499,"formula_full":"Mg1 Cl2","formula_reduced":"MgCl2","formula_anonymous":"AB2","energy_above_hull":0.0360199999999999,"spacegroup":115},{"id":"jvasp-100585","created_at":"2022-09-04T14:37:07.555490Z","updated_at":"2022-09-04T14:37:07.555513Z","structure_string":"Na2 Y1 Cu1 Cl6\n1.0\n6.234688 0.000000 3.599598\n2.078229 5.878120 3.599598\n0.000000 0.000000 7.199198\nNa Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cu\n0.744290 0.255710 0.255711 Cl\n0.255711 0.255710 0.744290 Cl\n0.255711 0.744290 0.744290 Cl\n0.255711 0.744290 0.255711 Cl\n0.744290 0.255710 0.744290 Cl\n0.744290 0.744290 0.255711 Cl\n","nsites":10,"nelements":4,"elements":["Na","Y","Cu","Cl"],"chemical_system":"Cl-Cu-Na-Y","density":2.5876852784594435,"density_atomic":0.037902050759279514,"volume":263.8379665393623,"volume_molar":15.888693723322099,"formula_full":"Na2 Y1 Cu1 Cl6","formula_reduced":"Na2YCuCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0360508305,"spacegroup":225},{"id":"jvasp-37437","created_at":"2022-09-04T14:38:00.288069Z","updated_at":"2022-09-04T14:38:00.288096Z","structure_string":"Y1 Ho1 Cd2\n1.0\n-0.000000 3.710352 3.710352\n3.710352 0.000000 3.710352\n3.710352 3.710352 0.000000\nY Ho Cd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.249999 0.249999 0.249999 Ho\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n","nsites":4,"nelements":3,"elements":["Y","Ho","Cd"],"chemical_system":"Cd-Ho-Y","density":7.7803518773564075,"density_atomic":0.039154768158631795,"volume":102.15869453739026,"volume_molar":15.38035095905018,"formula_full":"Y1 Ho1 Cd2","formula_reduced":"YHoCd2","formula_anonymous":"ABC2","energy_above_hull":0.0360576291666666,"spacegroup":225},{"id":"jvasp-94048","created_at":"2022-09-04T14:35:51.118861Z","updated_at":"2022-09-04T14:35:51.118877Z","structure_string":"Mg6 V1 Bi1\n1.0\n6.319726 0.071805 0.000000\n-3.097678 5.508945 0.000000\n0.000000 0.000000 5.100440\nMg V Bi\n6 1 1\ndirect\n0.158276 0.816128 0.250000 Mg\n0.683874 0.341725 0.250000 Mg\n0.663687 0.836315 0.250000 Mg\n0.329087 0.657921 0.750000 Mg\n0.842081 0.170914 0.750000 Mg\n0.829758 0.670244 0.750000 Mg\n0.163246 0.336755 0.250000 V\n0.329996 0.170005 0.750000 Bi\n","nsites":8,"nelements":3,"elements":["Mg","V","Bi"],"chemical_system":"Bi-Mg-V","density":3.770244406400811,"density_atomic":0.04476615887254191,"volume":178.70642023984186,"volume_molar":13.452440217500508,"formula_full":"Mg6 V1 Bi1","formula_reduced":"Mg6VBi","formula_anonymous":"ABC6","energy_above_hull":0.03608535,"spacegroup":38},{"id":"jvasp-25237","created_at":"2022-09-04T14:38:31.089310Z","updated_at":"2022-09-04T14:38:31.089335Z","structure_string":"Ga6\n1.0\n5.002232 -0.000000 -1.768557\n-2.501117 4.332060 -1.768557\n-0.000000 -0.000000 5.305669\nGa\n6\ndirect\n0.124999 0.750000 0.874999 Ga\n0.624999 0.375000 0.249999 Ga\n0.375000 0.250000 0.625000 Ga\n0.749999 0.875000 0.124999 Ga\n0.249999 0.625000 0.374999 Ga\n0.875000 0.125000 0.749999 Ga\n","nsites":6,"nelements":1,"elements":["Ga"],"chemical_system":"Ga","density":6.041961693665761,"density_atomic":0.052185855167387066,"volume":114.97368359213225,"volume_molar":11.539795104792047,"formula_full":"Ga6","formula_reduced":"Ga","formula_anonymous":"A","energy_above_hull":0.0361523249999999,"spacegroup":220}]}