{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-chemical_system&page=4389","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-chemical_system&page=4387","results":[{"id":"jvasp-58506","created_at":"2022-09-04T14:37:16.801456Z","updated_at":"2022-09-04T14:37:16.801476Z","structure_string":"Al4 Cu6 Se12\n1.0\n4.965327 0.000000 -2.270873\n-1.038576 4.855495 -2.270873\n0.264988 0.327662 20.270951\nAl Cu Se\n4 6 12\ndirect\n0.760906 0.260906 0.507270 Al\n0.739095 0.239094 0.826063 Al\n0.510905 0.510906 0.007270 Al\n0.489095 0.489095 0.326063 Al\n0.250000 0.750001 0.166667 Cu\n0.256263 0.756264 0.504176 Cu\n0.243736 0.743737 0.829157 Cu\n0.006264 0.006264 0.004176 Cu\n0.993737 0.993737 0.329158 Cu\n0.000000 -0.000000 0.666667 Cu\n0.871952 0.902705 0.089626 Se\n0.625001 0.124860 0.916667 Se\n0.616176 0.146928 0.589626 Se\n0.633825 0.128048 0.243707 Se\n0.125000 0.625140 0.916667 Se\n0.396928 0.366176 0.089626 Se\n0.097295 0.603072 0.243707 Se\n0.378048 0.383825 0.743707 Se\n0.374860 0.375000 0.416667 Se\n0.875140 0.875001 0.416667 Se\n0.152704 0.621952 0.589626 Se\n0.853072 0.847296 0.743707 Se\n","nsites":22,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":4.80893787445372,"density_atomic":0.04434554138127495,"volume":496.10398959498485,"volume_molar":13.580036622448064,"formula_full":"Al4 Cu6 Se12","formula_reduced":"Al2(CuSe2)3","formula_anonymous":"A2B3C6","energy_above_hull":1.1096024681818182,"spacegroup":122},{"id":"jvasp-2724","created_at":"2022-09-04T14:37:01.107843Z","updated_at":"2022-09-04T14:37:01.107860Z","structure_string":"Al2 Cu2 Se4\n1.0\n5.129615 0.000000 -2.346010\n-1.072939 5.016150 -2.346010\n0.028429 0.035153 6.843190\nAl Cu Se\n2 2 4\ndirect\n0.750001 0.250000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.378542 0.375000 0.250000 Se\n0.125000 0.621458 0.750000 Se\n0.625001 0.128541 0.750000 Se\n0.871459 0.875000 0.250000 Se\n","nsites":8,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":4.663565949782412,"density_atomic":0.045216226751281216,"volume":176.9276336127122,"volume_molar":13.318538924368255,"formula_full":"Al2 Cu2 Se4","formula_reduced":"AlCuSe2","formula_anonymous":"ABC2","energy_above_hull":0.8396624958333334,"spacegroup":122},{"id":"jvasp-8369","created_at":"2022-09-04T14:36:41.869745Z","updated_at":"2022-09-04T14:36:41.869773Z","structure_string":"Al2 Cu2 Se4\n1.0\n5.129606 0.000000 -2.346006\n-1.072938 5.016141 -2.346006\n0.028432 0.035156 6.843182\nAl Cu Se\n2 2 4\ndirect\n0.750000 0.250000 0.499999 Al\n0.500000 0.500000 -0.000001 Al\n0.250000 0.750000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.378542 0.375000 0.249999 Se\n0.125000 0.621459 0.749999 Se\n0.625000 0.128542 0.750000 Se\n0.871458 0.875000 0.249999 Se\n","nsites":8,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":4.663585840621506,"density_atomic":0.045216419605569214,"volume":176.9268789918664,"volume_molar":13.318482118956329,"formula_full":"Al2 Cu2 Se4","formula_reduced":"AlCuSe2","formula_anonymous":"ABC2","energy_above_hull":0.8396624958333334,"spacegroup":122},{"id":"jvasp-11598","created_at":"2022-09-04T14:37:17.427339Z","updated_at":"2022-09-04T14:37:17.427367Z","structure_string":"Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n","nsites":14,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":4.613822771404699,"density_atomic":0.0468588693375346,"volume":298.76947945873303,"volume_molar":12.851656143517278,"formula_full":"Al5 Cu1 Se8","formula_reduced":"Al5CuSe8","formula_anonymous":"AB5C8","energy_above_hull":1.6308058130952383,"spacegroup":216},{"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-17418","created_at":"2022-09-04T14:38:18.324078Z","updated_at":"2022-09-04T14:38:18.324098Z","structure_string":"Sc1 Al1 Cu2\n1.0\n3.802294 -0.000000 2.195256\n1.267431 3.584837 2.195256\n0.000000 0.000000 4.390511\nSc Al Cu\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250001 Cu\n0.749999 0.750001 0.750002 Cu\n","nsites":4,"nelements":3,"elements":["Sc","Al","Cu"],"chemical_system":"Al-Cu-Sc","density":5.522506865458863,"density_atomic":0.06683898006670712,"volume":59.84531774733683,"volume_molar":9.009923182534713,"formula_full":"Sc1 Al1 Cu2","formula_reduced":"ScAlCu2","formula_anonymous":"ABC2","energy_above_hull":0.7491672375,"spacegroup":225},{"id":"jvasp-39112","created_at":"2022-09-04T14:37:55.372806Z","updated_at":"2022-09-04T14:37:55.372828Z","structure_string":"Sc2 Al1 Cu1\n1.0\n0.000000 3.335883 3.335883\n3.335883 -0.000000 3.335883\n3.335883 3.335883 0.000000\nSc Al Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.249999 0.249999 0.249999 Al\n0.749999 0.749999 0.749999 Cu\n","nsites":4,"nelements":3,"elements":["Sc","Al","Cu"],"chemical_system":"Al-Cu-Sc","density":4.035691458614507,"density_atomic":0.05387627552194656,"volume":74.24418190100383,"volume_molar":11.177722850472236,"formula_full":"Sc2 Al1 Cu1","formula_reduced":"Sc2AlCu","formula_anonymous":"ABC2","energy_above_hull":1.5219359375,"spacegroup":225},{"id":"jvasp-2397","created_at":"2022-09-04T14:37:01.415589Z","updated_at":"2022-09-04T14:37:01.415607Z","structure_string":"Al2 Cu2 S4\n1.0\n4.852601 0.000000 -2.207014\n-1.003773 4.747649 -2.207014\n0.016943 0.020900 6.475510\nAl Cu S\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Al\n0.750000 0.250000 0.500001 Al\n0.250000 0.750000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.866695 0.875000 0.250001 S\n0.624999 0.133305 0.750000 S\n0.383305 0.375000 0.250001 S\n0.125000 0.616695 0.750001 S\n","nsites":8,"nelements":3,"elements":["Al","Cu","S"],"chemical_system":"Al-Cu-S","density":3.4325887450973496,"density_atomic":0.053464015497558526,"volume":149.63335480039515,"volume_molar":11.263914062487517,"formula_full":"Al2 Cu2 S4","formula_reduced":"AlCuS2","formula_anonymous":"ABC2","energy_above_hull":1.0272183125,"spacegroup":122},{"id":"jvasp-79757","created_at":"2022-09-04T14:37:11.628054Z","updated_at":"2022-09-04T14:37:11.628079Z","structure_string":"Al1 Cu1 S2\n1.0\n-1.796380 3.111421 -0.000000\n-3.592759 -0.000000 0.000000\n-1.796380 1.037140 6.033725\nAl Cu S\n1 1 2\ndirect\n0.002150 0.002150 0.993552 Al\n0.857488 0.857489 0.427535 Cu\n0.733596 0.733596 0.799213 S\n0.253766 0.253766 0.238702 S\n","nsites":4,"nelements":3,"elements":["Al","Cu","S"],"chemical_system":"Al-Cu-S","density":3.8075692829120937,"density_atomic":0.059304495314327764,"volume":67.44851260935718,"volume_molar":10.154610924654596,"formula_full":"Al1 Cu1 S2","formula_reduced":"AlCuS2","formula_anonymous":"ABC2","energy_above_hull":1.0566433125,"spacegroup":160},{"id":"jvasp-13290","created_at":"2022-09-04T14:36:36.408820Z","updated_at":"2022-09-04T14:36:36.408840Z","structure_string":"Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n","nsites":14,"nelements":3,"elements":["Al","Cu","S"],"chemical_system":"Al-Cu-S","density":3.0116968649485947,"density_atomic":0.05580895736495781,"volume":250.85578840773212,"volume_molar":10.790634773229565,"formula_full":"Al5 Cu1 S8","formula_reduced":"Al5CuS8","formula_anonymous":"AB5C8","energy_above_hull":1.9630310321428572,"spacegroup":216},{"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-11597","created_at":"2022-09-04T14:37:14.777981Z","updated_at":"2022-09-04T14:37:14.778005Z","structure_string":"Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n","nsites":14,"nelements":3,"elements":["Al","Cu","S"],"chemical_system":"Al-Cu-S","density":3.0116968649485947,"density_atomic":0.05580895736495781,"volume":250.85578840773212,"volume_molar":10.790634773229565,"formula_full":"Al5 Cu1 S8","formula_reduced":"Al5CuS8","formula_anonymous":"AB5C8","energy_above_hull":1.9630310321428572,"spacegroup":216}]}