{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3391","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3389","results":[{"id":"jvasp-110846","created_at":"2022-09-04T14:38:38.910464Z","updated_at":"2022-09-04T14:38:38.910487Z","structure_string":"Pm3 Hf1\n1.0\n4.919860 -0.000000 0.000000\n0.000000 4.919860 0.000000\n-0.000000 -0.000000 4.919860\nPm Hf\n3 1\ndirect\n0.500000 0.000000 0.500000 Pm\n-0.000000 0.500000 0.500000 Pm\n0.500000 0.500000 -0.000000 Pm\n0.000000 0.000000 0.000000 Hf\n","nsites":4,"nelements":2,"elements":["Pm","Hf"],"chemical_system":"Hf-Pm","density":8.554573294760878,"density_atomic":0.03358936220025761,"volume":119.08532160129324,"volume_molar":17.92871422832141,"formula_full":"Pm3 Hf1","formula_reduced":"Pm3Hf","formula_anonymous":"AB3","energy_above_hull":2.59592413125,"spacegroup":221},{"id":"jvasp-57204","created_at":"2022-09-04T14:38:27.557508Z","updated_at":"2022-09-04T14:38:27.557532Z","structure_string":"Ba1 Nd1 Mn2 O5\n1.0\n3.970078 0.000000 -0.000000\n0.000000 3.970078 0.000000\n0.000000 0.000000 7.672671\nBa Nd Mn O\n1 1 2 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.764301 Mn\n0.500000 0.500000 0.235699 Mn\n0.000000 0.500000 0.199373 O\n0.500000 0.000000 0.800627 O\n0.500000 0.000000 0.199373 O\n0.000000 0.500000 0.800627 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":4,"elements":["Ba","Nd","Mn","O"],"chemical_system":"Ba-Mn-Nd-O","density":6.4734052507994875,"density_atomic":0.07442140320411064,"volume":120.93295224918425,"volume_molar":8.09194734407718,"formula_full":"Ba1 Nd1 Mn2 O5","formula_reduced":"BaNdMn2O5","formula_anonymous":"ABC2D5","energy_above_hull":2.59593771697318,"spacegroup":123},{"id":"jvasp-46477","created_at":"2022-09-04T14:38:07.857268Z","updated_at":"2022-09-04T14:38:07.857300Z","structure_string":"Li4 V2 B2 O8\n1.0\n4.630864 0.000000 0.000000\n0.000000 5.355729 0.000000\n0.000000 0.000000 5.837016\nLi V B O\n4 2 2 8\ndirect\n0.010508 0.659355 0.255130 Li\n0.510508 0.340646 0.244871 Li\n0.010508 0.659355 0.744871 Li\n0.510508 0.340646 0.755130 Li\n0.020966 0.141584 0.000000 V\n0.520966 0.858416 0.500000 V\n0.495923 0.823223 0.000000 B\n0.995923 0.176777 0.500000 B\n0.174510 0.819981 0.000000 O\n0.593141 0.093412 0.000000 O\n0.097222 0.308488 0.288764 O\n0.597221 0.691512 0.211236 O\n0.093141 0.906589 0.500000 O\n0.674509 0.180019 0.500000 O\n0.597221 0.691512 0.788764 O\n0.097222 0.308488 0.711237 O\n","nsites":16,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":3.2032649275288194,"density_atomic":0.11052193466583192,"volume":144.76764316854138,"volume_molar":5.448819529090054,"formula_full":"Li4 V2 B2 O8","formula_reduced":"Li2VBO4","formula_anonymous":"ABC2D4","energy_above_hull":2.596025097916667,"spacegroup":31},{"id":"jvasp-109590","created_at":"2022-09-04T14:38:15.148217Z","updated_at":"2022-09-04T14:38:15.148238Z","structure_string":"Sr1 W1 O3\n1.0\n4.009165 -0.000000 0.000000\n0.000000 4.009165 0.000000\n-0.000000 -0.000000 4.009165\nSr W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 W\n0.500001 0.500001 -0.000000 O\n0.500001 0.000000 0.500001 O\n-0.000000 0.500001 0.500001 O\n","nsites":5,"nelements":3,"elements":["Sr","W","O"],"chemical_system":"O-Sr-W","density":8.231923897536353,"density_atomic":0.07759043977225091,"volume":64.44092873653459,"volume_molar":7.761446871130804,"formula_full":"Sr1 W1 O3","formula_reduced":"SrWO3","formula_anonymous":"ABC3","energy_above_hull":2.5961373620000003,"spacegroup":221},{"id":"jvasp-55545","created_at":"2022-09-04T14:37:11.676338Z","updated_at":"2022-09-04T14:37:11.676367Z","structure_string":"B3 P3 Pb3 O15\n1.0\n3.474778 -6.018493 0.000000\n3.474778 6.018493 -0.000000\n0.000000 0.000000 6.912984\nB P Pb O\n3 3 3 15\ndirect\n0.098541 0.098541 0.000000 B\n0.000000 0.901459 0.666667 B\n0.901459 0.000000 0.333333 B\n0.597444 0.597444 0.500000 P\n0.000000 0.402557 0.166667 P\n0.402557 0.000000 0.833333 P\n0.608978 0.608978 0.000000 Pb\n0.000000 0.391022 0.666667 Pb\n0.391022 0.000000 0.333333 Pb\n0.446531 0.862875 0.978221 O\n0.148209 0.334095 0.040144 O\n0.665905 0.814114 0.373477 O\n0.185887 0.851791 0.706810 O\n0.814114 0.665905 0.626523 O\n0.851791 0.185887 0.293190 O\n0.583657 0.137125 0.688446 O\n0.043285 0.043285 0.500000 O\n0.000000 0.956715 0.166667 O\n0.956715 0.000000 0.833333 O\n0.137125 0.583657 0.311554 O\n0.553470 0.416343 0.355112 O\n0.862875 0.446531 0.021779 O\n0.334095 0.148209 0.959855 O\n0.416343 0.553470 0.644888 O\n","nsites":24,"nelements":4,"elements":["B","P","Pb","O"],"chemical_system":"B-O-P-Pb","density":5.668025614345205,"density_atomic":0.08300435351834043,"volume":289.1414604499874,"volume_molar":7.255210726590821,"formula_full":"B3 P3 Pb3 O15","formula_reduced":"BPPbO5","formula_anonymous":"ABCD5","energy_above_hull":2.5962220504166664,"spacegroup":152},{"id":"jvasp-112320","created_at":"2022-09-04T14:38:26.352156Z","updated_at":"2022-09-04T14:38:26.352185Z","structure_string":"Sr2 Y1 Fe3 O8\n1.0\n3.838733 -0.000000 0.000000\n0.000000 3.838733 0.000000\n-0.000000 -0.000000 11.441889\nSr Y Fe O\n2 1 3 8\ndirect\n0.500000 0.500000 0.160241 Sr\n0.500000 0.500000 0.839759 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.341910 Fe\n0.000000 0.000000 0.658091 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.177900 O\n0.000000 0.000000 0.822100 O\n-0.000000 0.500000 0.376078 O\n-0.000000 0.500000 0.623922 O\n0.500000 0.000000 0.376078 O\n0.500000 0.000000 0.623922 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n","nsites":14,"nelements":4,"elements":["Sr","Y","Fe","O"],"chemical_system":"Fe-O-Sr-Y","density":5.5120389472849265,"density_atomic":0.08303371959059638,"volume":168.6062008185107,"volume_molar":7.252644816699276,"formula_full":"Sr2 Y1 Fe3 O8","formula_reduced":"Sr2YFe3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.5964187550000006,"spacegroup":123},{"id":"jvasp-56187","created_at":"2022-09-04T14:37:19.272381Z","updated_at":"2022-09-04T14:37:19.272405Z","structure_string":"Nd3 B3 Pt6\n1.0\n2.738272 -4.742827 -0.000000\n2.738272 4.742827 0.000000\n0.000000 -0.000000 8.042678\nNd B Pt\n3 3 6\ndirect\n0.500000 -0.000000 0.500000 Nd\n-0.000000 0.500000 0.166667 Nd\n0.500000 0.500000 0.833333 Nd\n0.500000 0.500000 0.333333 B\n0.500000 -0.000000 0.000000 B\n-0.000000 0.500000 0.666667 B\n0.691223 0.845611 0.166667 Pt\n0.845611 0.154388 0.833333 Pt\n0.308776 0.154388 0.166667 Pt\n0.154388 0.308776 0.500000 Pt\n0.845611 0.691223 0.500000 Pt\n0.154388 0.845611 0.833333 Pt\n","nsites":12,"nelements":3,"elements":["Nd","B","Pt"],"chemical_system":"B-Nd-Pt","density":13.00164730861211,"density_atomic":0.057442945324112836,"volume":208.90293720650772,"volume_molar":10.483690775291922,"formula_full":"Nd3 B3 Pt6","formula_reduced":"NdBPt2","formula_anonymous":"ABC2","energy_above_hull":2.5965192208333336,"spacegroup":180},{"id":"jvasp-119618","created_at":"2022-09-04T14:38:49.635180Z","updated_at":"2022-09-04T14:38:49.635215Z","structure_string":"Y6 Al2 Co2 S14\n1.0\n9.483681 -0.000000 0.000000\n-4.741839 8.213109 0.000000\n-0.000000 -0.000000 6.152691\nY Al Co S\n6 2 2 14\ndirect\n0.783283 0.158202 0.225140 Y\n0.374919 0.216717 0.225140 Y\n0.841798 0.625081 0.225140 Y\n0.216717 0.841798 0.725140 Y\n0.625081 0.783283 0.725140 Y\n0.158202 0.374919 0.725140 Y\n0.666667 0.333333 0.652193 Al\n0.333333 0.666667 0.152193 Al\n0.000000 0.000000 0.063896 Co\n0.000000 0.000000 0.563896 Co\n0.435967 0.522364 -0.000127 S\n0.477636 0.913603 -0.000127 S\n0.086397 0.564033 -0.000127 S\n0.564033 0.477636 0.499873 S\n0.522364 0.086397 0.499873 S\n0.913603 0.435967 0.499873 S\n0.225966 0.127287 0.819124 S\n0.774034 0.872713 0.319124 S\n0.127287 0.901320 0.319124 S\n0.901320 0.774034 0.819124 S\n0.666667 0.333333 0.014609 S\n0.872713 0.098680 0.819124 S\n0.098680 0.225966 0.319124 S\n0.333333 0.666667 0.514609 S\n","nsites":24,"nelements":4,"elements":["Y","Al","Co","S"],"chemical_system":"Al-Co-S-Y","density":3.9991801601651233,"density_atomic":0.05007968785698573,"volume":479.2362138625468,"volume_molar":12.025116404873833,"formula_full":"Y6 Al2 Co2 S14","formula_reduced":"Y3AlCoS7","formula_anonymous":"ABC3D7","energy_above_hull":2.5965800041666665,"spacegroup":173},{"id":"jvasp-71681","created_at":"2022-09-04T14:36:02.831728Z","updated_at":"2022-09-04T14:36:02.831764Z","structure_string":"Be1 Fe2 Se1\n1.0\n-1.789971 1.789971 3.816631\n1.789971 -1.789971 3.816631\n1.789971 1.789971 -3.816631\nBe Fe Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Se\n","nsites":4,"nelements":3,"elements":["Be","Fe","Se"],"chemical_system":"Be-Fe-Se","density":6.778174665696413,"density_atomic":0.08177637154500488,"volume":48.913884590717466,"volume_molar":7.36415745309239,"formula_full":"Be1 Fe2 Se1","formula_reduced":"BeFe2Se","formula_anonymous":"ABC2","energy_above_hull":2.5966626166666664,"spacegroup":139},{"id":"jvasp-9234","created_at":"2022-09-04T14:37:56.556423Z","updated_at":"2022-09-04T14:37:56.556449Z","structure_string":"V4 Zn2 O12\n1.0\n4.956424 0.204673 -0.032090\n0.270131 5.388953 -0.018640\n0.001642 -0.017659 7.699988\nV Zn O\n4 2 12\ndirect\n0.537545 0.028786 0.009335 V\n0.995180 0.519479 0.045599 V\n0.037493 0.528685 0.509338 V\n0.495198 0.019654 0.545608 V\n0.559299 0.514449 0.751350 Zn\n0.059445 0.013962 0.251317 Zn\n0.664964 0.004135 0.217188 O\n0.164907 0.504031 0.717194 O\n0.721354 0.724697 0.930192 O\n0.220509 0.736700 0.069304 O\n0.720220 0.237142 0.569324 O\n0.722897 0.252968 0.929123 O\n0.217277 0.218112 0.052406 O\n0.372115 0.000783 0.745581 O\n0.223132 0.752633 0.429093 O\n0.717476 0.718463 0.552379 O\n0.221094 0.224442 0.430210 O\n0.872065 0.500810 0.245567 O\n","nsites":18,"nelements":3,"elements":["V","Zn","O"],"chemical_system":"O-V-Zn","density":4.260399921161912,"density_atomic":0.08770251642380263,"volume":205.23926489200218,"volume_molar":6.866554125880907,"formula_full":"V4 Zn2 O12","formula_reduced":"V2ZnO6","formula_anonymous":"AB2C6","energy_above_hull":2.596685533333334,"spacegroup":1},{"id":"jvasp-37051","created_at":"2022-09-04T14:35:46.699127Z","updated_at":"2022-09-04T14:35:46.699147Z","structure_string":"Ti2 Ga1 Fe1\n1.0\n3.039483 3.039483 0.000000\n3.039483 -0.000000 -3.039483\n0.000000 3.039483 -3.039483\nTi Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Fe\n","nsites":4,"nelements":3,"elements":["Ti","Ga","Fe"],"chemical_system":"Fe-Ga-Ti","density":6.543427344774291,"density_atomic":0.07122473459197207,"volume":56.16026543187499,"volume_molar":8.455125588742835,"formula_full":"Ti2 Ga1 Fe1","formula_reduced":"Ti2GaFe","formula_anonymous":"ABC2","energy_above_hull":2.5968286229166666,"spacegroup":216},{"id":"jvasp-80740","created_at":"2022-09-04T14:37:05.220733Z","updated_at":"2022-09-04T14:37:05.220757Z","structure_string":"Ti2 Ga1 Fe1\n1.0\n-3.039442 -3.039442 0.000000\n-3.039442 0.000000 -3.039442\n0.000000 -3.039442 -3.039442\nTi Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Fe\n","nsites":4,"nelements":3,"elements":["Ti","Ga","Fe"],"chemical_system":"Fe-Ga-Ti","density":6.543692147465119,"density_atomic":0.07122761695015835,"volume":56.15799280213189,"volume_molar":8.454783436337628,"formula_full":"Ti2 Ga1 Fe1","formula_reduced":"Ti2GaFe","formula_anonymous":"ABC2","energy_above_hull":2.5968486229166667,"spacegroup":216}]}