{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3410","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3408","results":[{"id":"jvasp-35937","created_at":"2022-09-04T14:37:42.137162Z","updated_at":"2022-09-04T14:37:42.137189Z","structure_string":"Li3 Y1 Bi2\n1.0\n2.318708 -4.016120 0.000000\n2.318708 4.016120 -0.000000\n-0.000000 0.000000 7.296255\nLi Y Bi\n3 1 2\ndirect\n0.666667 0.333333 0.650503 Li\n0.333333 0.666667 0.349498 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.247559 Bi\n0.333333 0.666667 0.752442 Bi\n","nsites":6,"nelements":3,"elements":["Li","Y","Bi"],"chemical_system":"Bi-Li-Y","density":6.448295520957982,"density_atomic":0.04415384304320489,"volume":135.88851131551453,"volume_molar":13.638995713481355,"formula_full":"Li3 Y1 Bi2","formula_reduced":"Li3YBi2","formula_anonymous":"AB2C3","energy_above_hull":1.135565675,"spacegroup":164},{"id":"jvasp-23378","created_at":"2022-09-04T14:37:34.665298Z","updated_at":"2022-09-04T14:37:34.665317Z","structure_string":"Li4 Ca8 Si12\n1.0\n4.373159 0.000000 0.000000\n0.000000 10.525610 -0.000000\n0.000000 -0.000000 11.212759\nLi Ca Si\n4 8 12\ndirect\n0.500000 0.860821 0.281234 Li\n0.500000 0.139179 0.718766 Li\n0.000000 0.360821 0.218766 Li\n0.000000 0.639179 0.781234 Li\n0.000000 0.321795 0.925445 Ca\n0.500000 0.178204 0.425445 Ca\n0.500000 0.821795 0.574556 Ca\n0.000000 0.678204 0.074555 Ca\n0.000000 0.051331 0.149933 Ca\n0.500000 0.448669 0.649934 Ca\n0.500000 0.551331 0.350067 Ca\n0.000000 0.948669 0.850067 Ca\n0.500000 0.755340 0.864455 Si\n0.500000 0.890817 0.041078 Si\n0.500000 0.109183 0.958922 Si\n0.000000 0.390817 0.458922 Si\n0.000000 0.609183 0.541078 Si\n0.000000 0.967163 0.399711 Si\n0.000000 0.032837 0.600290 Si\n0.500000 0.467163 0.100289 Si\n0.500000 0.532837 0.899711 Si\n0.000000 0.255340 0.635545 Si\n0.000000 0.744660 0.364455 Si\n0.500000 0.244660 0.135545 Si\n","nsites":24,"nelements":3,"elements":["Li","Ca","Si"],"chemical_system":"Ca-Li-Si","density":2.2051952001120836,"density_atomic":0.046500348938097964,"volume":516.1251592315833,"volume_molar":12.950743161125034,"formula_full":"Li4 Ca8 Si12","formula_reduced":"LiCa2Si3","formula_anonymous":"AB2C3","energy_above_hull":1.61904944,"spacegroup":58},{"id":"jvasp-51574","created_at":"2022-09-04T14:37:50.034330Z","updated_at":"2022-09-04T14:37:50.034358Z","structure_string":"Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n","nsites":24,"nelements":3,"elements":["Rb","Cu","Cl"],"chemical_system":"Cl-Cu-Rb","density":3.3392070126620497,"density_atomic":0.03539925935580315,"volume":677.9802865018298,"volume_molar":17.012052990913116,"formula_full":"Rb8 Cu4 Cl12","formula_reduced":"Rb2CuCl3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-10721","created_at":"2022-09-04T14:37:51.216779Z","updated_at":"2022-09-04T14:37:51.216804Z","structure_string":"Rb2 Cu6 S4\n1.0\n3.931725 0.000000 0.000000\n-1.965863 6.799895 -2.822706\n0.000000 0.028912 8.497604\nRb Cu S\n2 6 4\ndirect\n0.865514 0.731023 0.959122 Rb\n0.134488 0.268976 0.040877 Rb\n0.405671 0.811339 0.360989 Cu\n0.308714 0.617428 0.583043 Cu\n0.067313 0.134626 0.413359 Cu\n0.932688 0.865373 0.586640 Cu\n0.691287 0.382571 0.416956 Cu\n0.594331 0.188660 0.639009 Cu\n0.809252 0.618503 0.311407 S\n0.190749 0.381496 0.688592 S\n0.525358 0.050715 0.247912 S\n0.474643 0.949284 0.752087 S\n","nsites":12,"nelements":3,"elements":["Rb","Cu","S"],"chemical_system":"Cu-Rb-S","density":4.966658798511406,"density_atomic":0.05274562829989859,"volume":227.50700649105875,"volume_molar":11.417326808128244,"formula_full":"Rb2 Cu6 S4","formula_reduced":"RbCu3S2","formula_anonymous":"AB2C3","energy_above_hull":0.2035368916666667,"spacegroup":12},{"id":"jvasp-40478","created_at":"2022-09-04T14:37:49.149558Z","updated_at":"2022-09-04T14:37:49.149572Z","structure_string":"Li6 Cu2 S4\n1.0\n3.294802 1.902254 5.150118\n-3.294802 1.902254 5.150118\n0.000000 -3.804508 5.150118\nLi Cu S\n6 2 4\ndirect\n0.250000 0.974642 0.525358 Li\n0.025357 0.474643 0.750001 Li\n0.474643 0.750000 0.025358 Li\n0.525357 0.250000 0.974644 Li\n0.974642 0.525357 0.250001 Li\n0.750000 0.025357 0.474644 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500001 Cu\n0.361779 0.361779 0.361779 S\n0.638221 0.638221 0.638223 S\n0.138221 0.138221 0.138222 S\n0.861778 0.861778 0.861781 S\n","nsites":12,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":2.546457106577534,"density_atomic":0.06196051073910958,"volume":193.67174119217805,"volume_molar":9.719320722446556,"formula_full":"Li6 Cu2 S4","formula_reduced":"Li3CuS2","formula_anonymous":"AB2C3","energy_above_hull":0.8234400750000002,"spacegroup":167},{"id":"jvasp-35934","created_at":"2022-09-04T14:37:36.675512Z","updated_at":"2022-09-04T14:37:36.675532Z","structure_string":"Li3 Pr1 Sb2\n1.0\n2.297365 -3.979153 0.000000\n2.297365 3.979153 -0.000000\n-0.000000 -0.000000 7.362997\nLi Pr Sb\n3 1 2\ndirect\n0.666668 0.333334 0.353256 Li\n0.333334 0.666668 0.646744 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.741782 Sb\n0.333334 0.666668 0.258218 Sb\n","nsites":6,"nelements":3,"elements":["Li","Pr","Sb"],"chemical_system":"Li-Pr-Sb","density":4.998820702169485,"density_atomic":0.04457034466871775,"volume":134.6186583163485,"volume_molar":13.511541821723256,"formula_full":"Li3 Pr1 Sb2","formula_reduced":"Li3PrSb2","formula_anonymous":"AB2C3","energy_above_hull":1.1448120083333335,"spacegroup":164},{"id":"jvasp-16780","created_at":"2022-09-04T14:37:57.668668Z","updated_at":"2022-09-04T14:37:57.668694Z","structure_string":"Th2 Cr1 N3\n1.0\n3.434391 0.000000 -0.900075\n-0.274912 3.603429 -1.048974\n0.000305 0.073882 7.003459\nTh Cr N\n2 1 3\ndirect\n0.354806 0.354804 0.709611 Th\n0.645195 0.645196 0.290391 Th\n0.000000 0.000000 0.000000 Cr\n0.834962 0.834960 0.669922 N\n0.165040 0.165039 0.330080 N\n0.000000 0.500000 0.000000 N\n","nsites":6,"nelements":3,"elements":["Th","Cr","N"],"chemical_system":"Cr-N-Th","density":10.65734271817447,"density_atomic":0.06899935623402263,"volume":86.95733304597823,"volume_molar":8.72782166195134,"formula_full":"Th2 Cr1 N3","formula_reduced":"Th2CrN3","formula_anonymous":"AB2C3","energy_above_hull":4.739823058333333,"spacegroup":71},{"id":"jvasp-9581","created_at":"2022-09-04T14:37:34.765951Z","updated_at":"2022-09-04T14:37:34.765969Z","structure_string":"Li4 Zr2 O6\n1.0\n5.172611 -0.035967 -1.027734\n-2.761050 4.374220 -1.027734\n0.035058 0.063068 5.409547\nLi Zr O\n4 2 6\ndirect\n0.741243 0.258756 0.250001 Li\n0.258757 0.741243 0.750001 Li\n0.425166 0.574833 0.250001 Li\n0.574834 0.425166 0.750001 Li\n0.091463 0.908537 0.250001 Zr\n0.908536 0.091463 0.750001 Zr\n0.000000 0.500000 0.000000 O\n0.691411 0.843526 0.988632 O\n0.843526 0.691411 0.488632 O\n0.308589 0.156474 0.011370 O\n0.156474 0.308589 0.511370 O\n0.500000 -0.000000 0.500001 O\n","nsites":12,"nelements":3,"elements":["Li","Zr","O"],"chemical_system":"Li-O-Zr","density":4.149662746568092,"density_atomic":0.09793272754763312,"volume":122.5330928740177,"volume_molar":6.1492627753790625,"formula_full":"Li4 Zr2 O6","formula_reduced":"Li2ZrO3","formula_anonymous":"AB2C3","energy_above_hull":1.8958475000000004,"spacegroup":15},{"id":"jvasp-10107","created_at":"2022-09-04T14:37:57.627772Z","updated_at":"2022-09-04T14:37:57.627798Z","structure_string":"Tl4 Ge2 S6\n1.0\n6.733409 0.002300 -0.011643\n-2.727040 -6.270253 0.086501\n-3.098460 1.256809 -7.792529\nTl Ge S\n4 2 6\ndirect\n0.260083 0.687986 0.886648 Tl\n0.739917 0.312013 0.113352 Tl\n0.884239 0.057985 0.672185 Tl\n0.115761 0.942015 0.327815 Tl\n0.429637 0.548959 0.313609 Ge\n0.570363 0.451041 0.686391 Ge\n0.516537 0.884042 0.266854 S\n0.483463 0.115957 0.733146 S\n0.763680 0.707370 0.913635 S\n0.235284 0.470689 0.496640 S\n0.764715 0.529310 0.503360 S\n0.236320 0.292630 0.086365 S\n","nsites":12,"nelements":3,"elements":["Tl","Ge","S"],"chemical_system":"Ge-S-Tl","density":5.839691267221679,"density_atomic":0.036531175971435854,"volume":328.486551031999,"volume_molar":16.48493540068018,"formula_full":"Tl4 Ge2 S6","formula_reduced":"Tl2GeS3","formula_anonymous":"AB2C3","energy_above_hull":0.8846235250000003,"spacegroup":2},{"id":"jvasp-35932","created_at":"2022-09-04T14:37:37.300362Z","updated_at":"2022-09-04T14:37:37.300384Z","structure_string":"Li3 Nd1 Sb2\n1.0\n2.290214 -3.966767 0.000000\n2.290214 3.966767 -0.000000\n0.000000 -0.000000 7.320719\nLi Nd Sb\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666666 0.333332 0.352604 Li\n0.333332 0.666666 0.647396 Li\n0.000000 0.000000 0.000000 Nd\n0.666666 0.333332 0.743440 Sb\n0.333332 0.666666 0.256560 Sb\n","nsites":6,"nelements":3,"elements":["Li","Nd","Sb"],"chemical_system":"Li-Nd-Sb","density":5.100761608474842,"density_atomic":0.04510812349947475,"volume":133.01373532130782,"volume_molar":13.35045728530499,"formula_full":"Li3 Nd1 Sb2","formula_reduced":"Li3NdSb2","formula_anonymous":"AB2C3","energy_above_hull":1.135295616666667,"spacegroup":164},{"id":"jvasp-106324","created_at":"2022-09-04T14:37:48.634333Z","updated_at":"2022-09-04T14:37:48.634359Z","structure_string":"U3 P2 S1\n1.0\n3.963178 -0.000000 -0.000000\n-1.981589 3.432213 -0.000000\n0.000000 -0.000000 9.421315\nU P S\n3 2 1\ndirect\n0.000000 0.000000 0.500000 U\n0.333333 0.666666 0.164067 U\n0.666667 0.333333 0.835932 U\n0.333333 0.666666 0.668913 P\n0.666667 0.333333 0.331086 P\n0.000000 0.000000 0.000000 S\n","nsites":6,"nelements":3,"elements":["U","P","S"],"chemical_system":"P-S-U","density":10.47091100311069,"density_atomic":0.0468189764976246,"volume":128.15316456788446,"volume_molar":12.862606597787414,"formula_full":"U3 P2 S1","formula_reduced":"U3P2S","formula_anonymous":"AB2C3","energy_above_hull":4.567054833333334,"spacegroup":164},{"id":"jvasp-56857","created_at":"2022-09-04T14:37:58.391132Z","updated_at":"2022-09-04T14:37:58.391154Z","structure_string":"Rb2 Cu4 Br6\n1.0\n5.275352 0.000000 0.000000\n-0.000000 7.868289 -1.798735\n-0.000000 0.030617 8.071213\nRb Cu Br\n2 4 6\ndirect\n0.750000 0.701556 0.298445 Rb\n0.250000 0.298445 0.701556 Rb\n0.000000 0.822133 0.822133 Cu\n0.500000 0.822133 0.822133 Cu\n0.500000 0.177868 0.177868 Cu\n0.000000 0.177868 0.177868 Cu\n0.750000 0.573344 0.839556 Br\n0.750000 0.109393 0.890607 Br\n0.250000 0.426656 0.160445 Br\n0.750000 0.160445 0.426656 Br\n0.250000 0.890608 0.109393 Br\n0.250000 0.839556 0.573344 Br\n","nsites":12,"nelements":3,"elements":["Rb","Cu","Br"],"chemical_system":"Br-Cu-Rb","density":4.479521218590352,"density_atomic":0.03578773736290469,"volume":335.31038518345787,"volume_molar":16.82738614887168,"formula_full":"Rb2 Cu4 Br6","formula_reduced":"RbCu2Br3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":63}]}