{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3455","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3453","results":[{"id":"jvasp-74355","created_at":"2022-09-04T14:36:16.895807Z","updated_at":"2022-09-04T14:36:16.895830Z","structure_string":"Ta1 Be2 Br1\n1.0\n2.969105 0.000000 0.000000\n0.000000 2.969105 -0.000000\n-0.000000 -0.000000 7.862805\nTa Be Br\n1 2 1\ndirect\n0.499999 0.499999 0.796197 Ta\n0.000000 0.000000 0.016093 Be\n0.499999 0.499999 0.120670 Be\n0.000000 0.000000 0.567041 Br\n","nsites":4,"nelements":3,"elements":["Ta","Be","Br"],"chemical_system":"Be-Br-Ta","density":6.680854295270363,"density_atomic":0.057707382170669806,"volume":69.31522189258186,"volume_molar":10.435650576194039,"formula_full":"Ta1 Be2 Br1","formula_reduced":"TaBe2Br","formula_anonymous":"ABC2","energy_above_hull":2.6606088762499995,"spacegroup":99},{"id":"jvasp-23824","created_at":"2022-09-04T14:37:34.061334Z","updated_at":"2022-09-04T14:37:34.061346Z","structure_string":"Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n","nsites":20,"nelements":2,"elements":["Sc","P"],"chemical_system":"P-Sc","density":3.4649109244638683,"density_atomic":0.0530095616447476,"volume":377.29042420749164,"volume_molar":11.360480209888133,"formula_full":"Sc12 P8","formula_reduced":"Sc3P2","formula_anonymous":"A2B3","energy_above_hull":2.66061335,"spacegroup":62},{"id":"jvasp-40025","created_at":"2022-09-04T14:37:41.372929Z","updated_at":"2022-09-04T14:37:41.372952Z","structure_string":"Ti1 Be1 Rh2\n1.0\n0.000008 2.957578 2.957578\n2.957582 0.000002 2.957584\n2.957583 2.957585 0.000001\nTi Be Rh\n1 1 2\ndirect\n0.750000 0.750000 0.749999 Ti\n0.250000 0.250000 0.250000 Be\n-0.000000 0.000000 0.000001 Rh\n0.500000 0.500001 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Be","Rh"],"chemical_system":"Be-Rh-Ti","density":8.43050352617323,"density_atomic":0.07730731090640677,"volume":51.741548801802956,"volume_molar":7.789872250621668,"formula_full":"Ti1 Be1 Rh2","formula_reduced":"TiBeRh2","formula_anonymous":"ABC2","energy_above_hull":2.660715108333333,"spacegroup":225},{"id":"jvasp-58463","created_at":"2022-09-04T14:38:34.215467Z","updated_at":"2022-09-04T14:38:34.215493Z","structure_string":"Ti4 Al2 O8\n1.0\n5.141406 0.042670 2.899214\n1.713298 4.847730 2.899214\n0.059808 0.042670 5.902197\nTi Al O\n4 2 8\ndirect\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.625007 0.625006 0.625005 Al\n0.374994 0.374994 0.374993 Al\n0.256366 0.747885 0.747884 O\n0.252115 0.252115 0.743635 O\n0.252115 0.743635 0.252114 O\n0.252117 0.252117 0.252117 O\n0.747886 0.747885 0.256363 O\n0.743636 0.252115 0.252114 O\n0.747886 0.256365 0.747884 O\n0.747884 0.747883 0.747882 O\n","nsites":14,"nelements":3,"elements":["Ti","Al","O"],"chemical_system":"Al-O-Ti","density":4.264168779484149,"density_atomic":0.09627387430317473,"volume":145.41847517128886,"volume_molar":6.255218047043333,"formula_full":"Ti4 Al2 O8","formula_reduced":"Ti2AlO4","formula_anonymous":"AB2C4","energy_above_hull":2.660763352380952,"spacegroup":227},{"id":"jvasp-112510","created_at":"2022-09-04T14:38:40.674126Z","updated_at":"2022-09-04T14:38:40.674152Z","structure_string":"Li2 Mn2 Co2 O8\n1.0\n4.972010 -0.001882 -2.678346\n-1.640646 4.673925 -2.710689\n-0.019996 -0.106641 5.645293\nLi Mn Co O\n2 2 2 8\ndirect\n-0.000001 0.499999 -0.000001 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.499999 Co\n0.741262 0.211959 0.970801 O\n0.279272 0.757445 0.521686 O\n0.258850 0.229527 0.470799 O\n0.735752 0.757572 -0.021706 O\n0.264247 0.242427 0.021704 O\n0.741148 0.770473 0.529198 O\n0.720727 0.242555 0.478311 O\n0.258736 0.788041 0.029196 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.757296027510356,"density_atomic":0.10851356414349854,"volume":129.01612909411375,"volume_molar":5.549666355107746,"formula_full":"Li2 Mn2 Co2 O8","formula_reduced":"LiMnCoO4","formula_anonymous":"ABCD4","energy_above_hull":2.660793163054187,"spacegroup":74},{"id":"jvasp-13167","created_at":"2022-09-04T14:38:14.535879Z","updated_at":"2022-09-04T14:38:14.535906Z","structure_string":"Co2 P2 O8\n1.0\n4.669783 -0.008740 -0.000000\n1.694780 4.351399 0.000000\n-0.000000 0.000000 6.314165\nCo P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.351296 0.351294 0.250000 P\n0.648705 0.648704 0.750000 P\n0.709543 0.223480 0.250000 O\n0.760328 0.760330 0.547583 O\n0.239670 0.239669 0.047585 O\n0.239670 0.239669 0.452416 O\n0.776520 0.290458 0.750000 O\n0.290458 0.776521 0.750000 O\n0.760328 0.760330 0.952415 O\n0.223480 0.709543 0.250000 O\n","nsites":12,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":3.980820302721953,"density_atomic":0.09345945569971131,"volume":128.39792303687756,"volume_molar":6.443586381831029,"formula_full":"Co2 P2 O8","formula_reduced":"CoPO4","formula_anonymous":"ABC4","energy_above_hull":2.6609934,"spacegroup":63},{"id":"jvasp-80565","created_at":"2022-09-04T14:36:52.166657Z","updated_at":"2022-09-04T14:36:52.166683Z","structure_string":"Al2 Os1 Pd1\n1.0\n-7.159231 -1.956364 -7.495241\n-2.939263 -1.183526 -6.575647\n-3.789672 -3.512554 -5.152498\nAl Os Pd\n2 1 1\ndirect\n0.767004 -0.014118 -0.014083 Al\n0.232996 0.014119 0.014081 Al\n0.500000 0.000000 -0.000001 Os\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Al","Os","Pd"],"chemical_system":"Al-Os-Pd","density":9.899463396981945,"density_atomic":0.0680133924516322,"volume":58.811946527216755,"volume_molar":8.854345508912312,"formula_full":"Al2 Os1 Pd1","formula_reduced":"Al2OsPd","formula_anonymous":"ABC2","energy_above_hull":2.6612790750000004,"spacegroup":12},{"id":"jvasp-72562","created_at":"2022-09-04T14:35:41.468554Z","updated_at":"2022-09-04T14:35:41.468581Z","structure_string":"Be2 Nb1 Se1\n1.0\n3.381284 -0.000000 -0.000000\n-0.000000 3.381284 -0.000000\n-0.000000 0.000000 4.979133\nBe Nb Se\n2 1 1\ndirect\n0.000000 0.000000 0.787997 Be\n0.000000 0.000000 0.212002 Be\n0.499999 0.499999 0.000000 Nb\n0.499999 0.499999 0.500000 Se\n","nsites":4,"nelements":3,"elements":["Be","Nb","Se"],"chemical_system":"Be-Nb-Se","density":5.539057424107343,"density_atomic":0.0702656333733147,"volume":56.92683333185621,"volume_molar":8.570535083637447,"formula_full":"Be2 Nb1 Se1","formula_reduced":"Be2NbSe","formula_anonymous":"ABC2","energy_above_hull":2.6614487416666663,"spacegroup":123},{"id":"jvasp-63963","created_at":"2022-09-04T14:38:11.788891Z","updated_at":"2022-09-04T14:38:11.788907Z","structure_string":"K1 Ba1 W1\n1.0\n0.000000 3.919654 3.919654\n3.919654 -0.000000 3.919654\n3.919654 3.919654 -0.000000\nK Ba W\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 W\n","nsites":3,"nelements":3,"elements":["K","Ba","W"],"chemical_system":"Ba-K-W","density":4.967047795511067,"density_atomic":0.024908527962492405,"volume":120.44067816923747,"volume_molar":24.177023905500235,"formula_full":"K1 Ba1 W1","formula_reduced":"KBaW","formula_anonymous":"ABC","energy_above_hull":2.6614646566666664,"spacegroup":216},{"id":"jvasp-89050","created_at":"2022-09-04T14:36:15.788229Z","updated_at":"2022-09-04T14:36:15.788254Z","structure_string":"Sr2 W2 O8\n1.0\n5.043585 -0.000052 -2.082313\n-0.859632 4.969366 -2.082070\n-0.007238 -0.008244 7.131885\nSr W O\n2 2 8\ndirect\n0.625002 0.875008 0.249999 Sr\n0.374998 0.124994 0.750002 Sr\n0.124995 0.374996 0.249993 W\n0.875005 0.625006 0.750008 W\n0.194800 0.565422 0.916274 O\n0.350841 0.694808 0.416260 O\n0.065423 0.221496 0.416289 O\n0.721484 0.850861 0.916275 O\n0.278515 0.149140 0.083727 O\n0.934577 0.778506 0.583713 O\n0.649159 0.305194 0.583742 O\n0.805199 0.434580 0.083728 O\n","nsites":12,"nelements":3,"elements":["Sr","W","O"],"chemical_system":"O-Sr-W","density":6.238802223753785,"density_atomic":0.06719945264897267,"volume":178.5728830662351,"volume_molar":8.961591981199069,"formula_full":"Sr2 W2 O8","formula_reduced":"SrWO4","formula_anonymous":"ABC4","energy_above_hull":2.661541718333334,"spacegroup":88},{"id":"jvasp-111863","created_at":"2022-09-04T14:38:41.652548Z","updated_at":"2022-09-04T14:38:41.652564Z","structure_string":"Al1 Fe4 Cu3 O12\n1.0\n5.808682 0.000000 -2.053679\n-2.904342 5.030467 -2.053679\n0.000000 0.000000 6.161038\nAl Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.532286 0.826821 0.705466 O\n0.294535 0.467715 0.173180 O\n0.826820 0.705466 0.532286 O\n0.878645 0.173180 0.705465 O\n0.826820 0.294535 0.121355 O\n0.705466 0.878646 0.173180 O\n0.467714 0.173180 0.294535 O\n0.705465 0.532286 0.826821 O\n0.173180 0.705466 0.878646 O\n0.294535 0.121355 0.826820 O\n0.173180 0.294535 0.467715 O\n0.121355 0.826821 0.294535 O\n","nsites":20,"nelements":4,"elements":["Al","Fe","Cu","O"],"chemical_system":"Al-Cu-Fe-O","density":5.838587025410244,"density_atomic":0.1110938972703737,"volume":180.02789074295586,"volume_molar":5.420766493899905,"formula_full":"Al1 Fe4 Cu3 O12","formula_reduced":"AlFe4(CuO4)3","formula_anonymous":"AB3C4D12","energy_above_hull":2.6615734075000006,"spacegroup":204},{"id":"jvasp-80557","created_at":"2022-09-04T14:37:16.897748Z","updated_at":"2022-09-04T14:37:16.897775Z","structure_string":"Ti1 Be2 Rh1\n1.0\n-8.302694 0.000000 -4.793562\n-5.319298 -0.931150 -0.373830\n-4.101716 2.512693 -2.482744\nTi Be Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.729756 -0.000000 -0.000000 Be\n0.270244 -0.000000 -0.000000 Be\n0.500000 -0.000000 -0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Be","Rh"],"chemical_system":"Be-Rh-Ti","density":5.0608603163632,"density_atomic":0.07222222612469766,"volume":55.384612391948,"volume_molar":8.338348294058777,"formula_full":"Ti1 Be2 Rh1","formula_reduced":"TiBe2Rh","formula_anonymous":"ABC2","energy_above_hull":2.661660883333333,"spacegroup":71}]}