{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=64","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=62","results":[{"id":"jvasp-79640","created_at":"2022-09-04T14:37:17.947084Z","updated_at":"2022-09-04T14:37:17.947104Z","structure_string":"Al1 Cu1 S2\n1.0\n-3.113389 -3.113389 0.000000\n-3.113389 -0.000000 -3.113389\n0.000000 -3.113389 -3.113389\nAl Cu S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750000 S\n","nsites":4,"nelements":3,"elements":["Al","Cu","S"],"chemical_system":"Al-Cu-S","density":4.254906644755476,"density_atomic":0.06627196314174827,"volume":60.35734887533737,"volume_molar":9.087011270692734,"formula_full":"Al1 Cu1 S2","formula_reduced":"AlCuS2","formula_anonymous":"ABC2","energy_above_hull":1.2595458125,"spacegroup":225},{"id":"jvasp-79642","created_at":"2022-09-04T14:37:17.984738Z","updated_at":"2022-09-04T14:37:17.984762Z","structure_string":"Al1 Cu1 Se2\n1.0\n-3.288601 -3.288601 -0.000000\n-3.288601 0.000000 -3.288601\n0.000000 -3.288601 -3.288601\nAl Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Se\n0.750000 0.750000 0.750000 Se\n","nsites":4,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":5.799896542234399,"density_atomic":0.05623367183214773,"volume":71.13175913427149,"volume_molar":10.709136650324965,"formula_full":"Al1 Cu1 Se2","formula_reduced":"AlCuSe2","formula_anonymous":"ABC2","energy_above_hull":1.0392524958333331,"spacegroup":225},{"id":"jvasp-114300","created_at":"2022-09-04T14:38:40.803752Z","updated_at":"2022-09-04T14:38:40.803780Z","structure_string":"Al1 Cu1 Se2\n1.0\n3.736295 0.000000 0.000000\n-1.868147 3.235726 -0.000000\n0.000000 -0.000000 6.574620\nAl Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.011748 Al\n0.333333 0.666667 0.566401 Cu\n0.666666 0.333333 0.768632 Se\n0.333333 0.666667 0.210418 Se\n","nsites":4,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":5.190392995280535,"density_atomic":0.05032414875870177,"volume":79.4847026460302,"volume_molar":11.96670169002846,"formula_full":"Al1 Cu1 Se2","formula_reduced":"AlCuSe2","formula_anonymous":"ABC2","energy_above_hull":0.8709799958333333,"spacegroup":156},{"id":"jvasp-108810","created_at":"2022-09-04T14:38:20.522918Z","updated_at":"2022-09-04T14:38:20.522944Z","structure_string":"Al1 Cu1 Sn1 Se4\n1.0\n5.126550 0.016475 -4.611656\n-1.006707 5.026761 -4.611656\n-0.013459 -0.016475 6.895557\nAl Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.499999 Cu\n0.500000 0.500000 -0.000000 Sn\n0.095796 0.099452 0.445712 Se\n0.653740 0.650084 0.554287 Se\n0.349916 0.904204 0.003656 Se\n0.900547 0.346260 0.996343 Se\n","nsites":7,"nelements":4,"elements":["Al","Cu","Sn","Se"],"chemical_system":"Al-Cu-Se-Sn","density":4.925067351121386,"density_atomic":0.03954009202371182,"volume":177.0355009746099,"volume_molar":15.23046723408883,"formula_full":"Al1 Cu1 Sn1 Se4","formula_reduced":"AlCuSnSe4","formula_anonymous":"ABCD4","energy_above_hull":1.102804059523809,"spacegroup":82},{"id":"jvasp-79597","created_at":"2022-09-04T14:37:04.990490Z","updated_at":"2022-09-04T14:37:04.990510Z","structure_string":"Al1 Cu1 Te2\n1.0\n-3.549672 -3.549672 0.000000\n-3.549672 -0.000000 -3.549672\n-0.000000 -3.549672 -3.549672\nAl Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Te\n0.749999 0.749999 0.749999 Te\n","nsites":4,"nelements":3,"elements":["Al","Cu","Te"],"chemical_system":"Al-Cu-Te","density":6.41783284483261,"density_atomic":0.044716244399386144,"volume":89.45295057146863,"volume_molar":13.467456493467663,"formula_full":"Al1 Cu1 Te2","formula_reduced":"AlCuTe2","formula_anonymous":"ABC2","energy_above_hull":0.8432296958333334,"spacegroup":225},{"id":"jvasp-16845","created_at":"2022-09-04T14:38:29.955881Z","updated_at":"2022-09-04T14:38:29.955909Z","structure_string":"Al1 Cu3\n1.0\n3.592666 -0.000000 2.074226\n1.197555 3.387198 2.074226\n-0.000000 -0.000000 4.148453\nAl Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.500000 Cu\n0.250001 0.250000 0.250000 Cu\n0.750002 0.750000 0.750000 Cu\n","nsites":4,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.1581926147307,"density_atomic":0.07923487717200373,"volume":50.48281946997617,"volume_molar":7.600366120246627,"formula_full":"Al1 Cu3","formula_reduced":"AlCu3","formula_anonymous":"AB3","energy_above_hull":0.0652285375,"spacegroup":225},{"id":"jvasp-36200","created_at":"2022-09-04T14:37:28.803305Z","updated_at":"2022-09-04T14:37:28.803331Z","structure_string":"Al1 Cu3\n1.0\n3.687996 -0.000000 -0.000000\n-0.000000 3.687996 0.000000\n-0.000000 0.000000 3.687996\nAl Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.000000 Cu\n0.500001 0.000000 0.500001 Cu\n0.000000 0.500001 0.500001 Cu\n","nsites":4,"nelements":2,"elements":["Al","Cu"],"chemical_system":"Al-Cu","density":7.2040324200903,"density_atomic":0.0797422833767183,"volume":50.161593456049026,"volume_molar":7.552004413455553,"formula_full":"Al1 Cu3","formula_reduced":"AlCu3","formula_anonymous":"AB3","energy_above_hull":0.0621510375,"spacegroup":221},{"id":"jvasp-100945","created_at":"2022-09-04T14:36:37.629120Z","updated_at":"2022-09-04T14:36:37.629148Z","structure_string":"Al1 Cu3 Hg1 Se4\n1.0\n5.910992 0.000000 0.000000\n0.000000 5.910992 0.000000\n-0.000000 -0.000000 5.910992\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.235733 0.235733 0.235733 Se\n0.764267 0.764267 0.235733 Se\n0.235733 0.764267 0.764267 Se\n0.764267 0.235733 0.764267 Se\n","nsites":9,"nelements":4,"elements":["Al","Cu","Hg","Se"],"chemical_system":"Al-Cu-Hg-Se","density":5.90192046735333,"density_atomic":0.04357740800425649,"volume":206.52903447403094,"volume_molar":13.819410184772298,"formula_full":"Al1 Cu3 Hg1 Se4","formula_reduced":"AlCu3HgSe4","formula_anonymous":"ABC3D4","energy_above_hull":0.5441824685185183,"spacegroup":215},{"id":"jvasp-119687","created_at":"2022-09-04T14:38:36.820001Z","updated_at":"2022-09-04T14:38:36.820020Z","structure_string":"Al1 Cu7 O12\n1.0\n5.898630 -0.000000 -2.085481\n-2.949315 5.108364 -2.085481\n-0.000000 -0.000000 6.256442\nAl Cu O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n-0.000001 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.499999 0.500000 -0.000000 Cu\n0.534636 0.833913 0.700723 O\n0.299276 0.465363 0.166086 O\n0.833913 0.700723 0.534636 O\n0.866809 0.166086 0.700723 O\n0.833914 0.299276 0.133190 O\n0.700723 0.866809 0.166086 O\n0.465363 0.166086 0.299276 O\n0.700723 0.534636 0.833913 O\n0.166085 0.700723 0.866809 O\n0.299276 0.133190 0.833914 O\n0.166086 0.299276 0.465363 O\n0.133189 0.833913 0.299276 O\n","nsites":20,"nelements":3,"elements":["Al","Cu","O"],"chemical_system":"Al-Cu-O","density":5.8468713261859255,"density_atomic":0.10608881096973129,"volume":188.52129472641838,"volume_molar":5.676508865499685,"formula_full":"Al1 Cu7 O12","formula_reduced":"AlCu7O12","formula_anonymous":"AB7C12","energy_above_hull":1.7125218975000005,"spacegroup":204},{"id":"jvasp-58383","created_at":"2022-09-04T14:37:30.461438Z","updated_at":"2022-09-04T14:37:30.461467Z","structure_string":"Al1 F3\n1.0\n3.627095 -0.000000 0.000000\n0.000000 3.627095 0.000000\n-0.000000 -0.000000 3.627095\nAl F\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.499999 F\n0.000000 0.499999 0.000000 F\n0.499999 0.000000 0.000000 F\n","nsites":4,"nelements":2,"elements":["Al","F"],"chemical_system":"Al-F","density":2.9223441483301116,"density_atomic":0.08382686014264129,"volume":47.71740219296689,"volume_molar":7.184022817689482,"formula_full":"Al1 F3","formula_reduced":"AlF3","formula_anonymous":"AB3","energy_above_hull":0.0040199999999999,"spacegroup":221},{"id":"jvasp-78761","created_at":"2022-09-04T14:36:34.819462Z","updated_at":"2022-09-04T14:36:34.819484Z","structure_string":"Al1 Fe1\n1.0\n0.000000 0.000000 -2.874996\n-2.032741 -3.520810 0.000000\n-0.743931 2.776716 0.000000\nAl Fe\n1 1\ndirect\n0.500001 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Fe\n","nsites":2,"nelements":2,"elements":["Al","Fe"],"chemical_system":"Al-Fe","density":5.789124775373284,"density_atomic":0.08418298017961402,"volume":23.7577714133281,"volume_molar":7.153632179748298,"formula_full":"Al1 Fe1","formula_reduced":"AlFe","formula_anonymous":"AB","energy_above_hull":1.5256741499999995,"spacegroup":221},{"id":"jvasp-78762","created_at":"2022-09-04T14:37:09.099375Z","updated_at":"2022-09-04T14:37:09.099395Z","structure_string":"Al1 Fe1\n1.0\n0.000000 -0.000000 -4.921636\n-1.322466 -2.290578 -0.000000\n-1.322466 2.290578 0.000000\nAl Fe\n1 1\ndirect\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n","nsites":2,"nelements":2,"elements":["Al","Fe"],"chemical_system":"Al-Fe","density":4.612639597647146,"density_atomic":0.06707503515492884,"volume":29.81735298953526,"volume_molar":8.978214839679408,"formula_full":"Al1 Fe1","formula_reduced":"AlFe","formula_anonymous":"AB","energy_above_hull":1.93477415,"spacegroup":191}]}