{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3486","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3484","results":[{"id":"jvasp-18425","created_at":"2022-09-04T14:36:35.062676Z","updated_at":"2022-09-04T14:36:35.062696Z","structure_string":"Li1 Ti1 O2\n1.0\n2.841949 0.032856 4.392832\n1.321616 2.516164 4.392832\n0.053667 0.032856 5.231708\nLi Ti O\n1 1 2\ndirect\n0.500002 0.500002 0.499997 Li\n0.000000 0.000000 0.000000 Ti\n0.253393 0.253391 0.253391 O\n0.746612 0.746609 0.746605 O\n","nsites":4,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":3.962353970998,"density_atomic":0.1099538439962817,"volume":36.378900951705404,"volume_molar":5.476971555631698,"formula_full":"Li1 Ti1 O2","formula_reduced":"LiTiO2","formula_anonymous":"ABC2","energy_above_hull":1.6222363333333334,"spacegroup":166},{"id":"jvasp-40727","created_at":"2022-09-04T14:37:27.438910Z","updated_at":"2022-09-04T14:37:27.438938Z","structure_string":"Mn2 O2 F2\n1.0\n3.764845 0.003004 -0.016820\n-0.004846 4.302273 -0.077983\n-1.858429 -2.060862 4.699768\nMn O F\n2 2 2\ndirect\n0.866635 0.616980 0.233365 Mn\n0.133366 0.383019 0.766636 Mn\n0.337451 0.587890 0.174964 O\n0.662549 0.412110 0.825037 O\n0.922650 0.172637 0.345001 F\n0.077350 0.827362 0.655000 F\n","nsites":6,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":3.962126005720881,"density_atomic":0.07959166784247904,"volume":75.38477534953385,"volume_molar":7.566295471931185,"formula_full":"Mn2 O2 F2","formula_reduced":"MnOF","formula_anonymous":"ABC","energy_above_hull":1.2370336746264368,"spacegroup":74},{"id":"jvasp-117438","created_at":"2022-09-04T14:38:27.465755Z","updated_at":"2022-09-04T14:38:27.465775Z","structure_string":"Li4 Ni4 P4 O16\n1.0\n4.832641 -0.000017 0.000031\n0.000030 8.988364 -0.000045\n-0.000038 0.000004 6.198457\nLi Ni P O\n4 4 4 16\ndirect\n0.484337 0.160602 0.749998 Li\n0.984337 0.339400 0.250001 Li\n0.015663 0.660602 0.749999 Li\n0.515662 0.839399 0.250001 Li\n0.000001 0.000000 0.500000 Ni\n0.499996 0.499999 0.500000 Ni\n0.000002 0.000000 0.000000 Ni\n0.499998 0.500000 -0.000000 Ni\n0.521866 0.820977 0.750001 P\n0.021862 0.679022 0.250000 P\n0.978133 0.320977 0.750001 P\n0.478138 0.179022 0.249999 P\n0.156187 0.619245 0.456618 O\n0.156188 0.619246 0.043380 O\n0.843806 0.380751 0.543384 O\n0.843807 0.380751 0.956619 O\n0.343813 0.119246 0.456616 O\n0.343815 0.119246 0.043380 O\n0.081227 0.853152 0.250000 O\n0.294297 0.362616 0.750000 O\n0.418772 0.353150 0.249999 O\n0.918774 0.146847 0.750000 O\n0.205701 0.862616 0.750000 O\n0.705696 0.637384 0.250000 O\n0.656194 0.880752 0.543382 O\n0.794302 0.137384 0.250000 O\n0.581224 0.646845 0.749999 O\n0.656195 0.880751 0.956620 O\n","nsites":28,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.962063507444705,"density_atomic":0.10399423219383502,"volume":269.24570150977945,"volume_molar":5.7908411197029865,"formula_full":"Li4 Ni4 P4 O16","formula_reduced":"LiNiPO4","formula_anonymous":"ABCD4","energy_above_hull":2.056998842857143,"spacegroup":62},{"id":"jvasp-114642","created_at":"2022-09-04T14:38:42.732335Z","updated_at":"2022-09-04T14:38:42.732361Z","structure_string":"Be1 Sb1 P1\n1.0\n2.920203 0.000000 -0.000000\n-0.000000 2.920203 0.000000\n0.000000 0.000000 7.949787\nBe Sb P\n1 1 1\ndirect\n0.000000 0.000000 0.394470 Be\n0.000000 0.000000 0.094440 Sb\n0.000000 0.000000 0.652174 P\n","nsites":3,"nelements":3,"elements":["Be","Sb","P"],"chemical_system":"Be-P-Sb","density":3.961876359581535,"density_atomic":0.04425269010645769,"volume":67.792488835887,"volume_molar":13.608530341348,"formula_full":"Be1 Sb1 P1","formula_reduced":"BeSbP","formula_anonymous":"ABC","energy_above_hull":2.069722566666667,"spacegroup":99},{"id":"jvasp-10475","created_at":"2022-09-04T14:37:08.053580Z","updated_at":"2022-09-04T14:37:08.053600Z","structure_string":"K4 Nb2 Cu2 Se8\n1.0\n5.603387 0.000000 1.346528\n2.801693 6.717563 0.673265\n0.016425 -0.000000 12.263762\nK Nb Cu Se\n4 2 2 8\ndirect\n0.804821 0.750000 0.390357 K\n0.445179 0.750000 0.109643 K\n0.195180 0.250000 0.609643 K\n0.554822 0.250000 0.890357 K\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.875001 0.250000 0.250000 Cu\n0.125001 0.750000 0.750000 Cu\n0.455343 0.460789 0.366604 Se\n0.178053 0.039211 0.366604 Se\n0.544658 0.539210 0.633395 Se\n0.217264 0.960789 0.866604 Se\n0.916133 0.539210 0.866604 Se\n0.821948 0.960789 0.633395 Se\n0.083868 0.460789 0.133395 Se\n0.782737 0.039211 0.133396 Se\n","nsites":16,"nelements":4,"elements":["K","Nb","Cu","Se"],"chemical_system":"Cu-K-Nb-Se","density":3.9616986772934393,"density_atomic":0.034671585384487356,"volume":461.4729849405348,"volume_molar":17.36909545155788,"formula_full":"K4 Nb2 Cu2 Se8","formula_reduced":"K2NbCuSe4","formula_anonymous":"ABC2D4","energy_above_hull":1.1563611645833332,"spacegroup":70},{"id":"jvasp-64873","created_at":"2022-09-04T14:35:51.739860Z","updated_at":"2022-09-04T14:35:51.739887Z","structure_string":"Ba4 Li1 Se1\n1.0\n-0.000000 5.106189 5.106189\n5.106189 -0.000000 5.106189\n5.106189 5.106189 -0.000000\nBa Li Se\n4 1 1\ndirect\n0.120046 0.626651 0.626651 Ba\n0.626651 0.626651 0.626651 Ba\n0.626651 0.120046 0.626651 Ba\n0.626651 0.626651 0.120046 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Se\n","nsites":6,"nelements":3,"elements":["Ba","Li","Se"],"chemical_system":"Ba-Li-Se","density":3.961367073906998,"density_atomic":0.02253360087405061,"volume":266.269027907986,"volume_molar":26.725159434837668,"formula_full":"Ba4 Li1 Se1","formula_reduced":"Ba4LiSe","formula_anonymous":"ABC4","energy_above_hull":0.228254541111111,"spacegroup":216},{"id":"jvasp-24947","created_at":"2022-09-04T14:38:30.240029Z","updated_at":"2022-09-04T14:38:30.240049Z","structure_string":"Rb2 Na1 Mn1 F6\n1.0\n5.152106 0.000000 -2.878690\n-1.608441 4.894601 -2.878690\n-0.005273 -0.007283 6.040372\nRb Na Mn F\n2 1 1 6\ndirect\n0.750001 0.250000 0.500000 Rb\n0.250001 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mn\n0.758764 0.758763 0.517526 F\n0.241238 0.241237 0.482475 F\n0.773821 0.773821 0.000000 F\n0.226180 0.773821 0.000000 F\n0.226180 0.226179 0.000000 F\n0.773821 0.226179 0.000000 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Mn","F"],"chemical_system":"F-Mn-Na-Rb","density":3.961242468065799,"density_atomic":0.0657431657994065,"volume":152.10706509801622,"volume_molar":9.160101566107368,"formula_full":"Rb2 Na1 Mn1 F6","formula_reduced":"Rb2NaMnF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-64539","created_at":"2022-09-04T14:38:17.826174Z","updated_at":"2022-09-04T14:38:17.826196Z","structure_string":"Ba4 Mg1 Si1\n1.0\n0.000000 5.014834 5.014834\n5.014834 -0.000000 5.014834\n5.014834 5.014834 -0.000000\nBa Mg Si\n4 1 1\ndirect\n0.120884 0.626372 0.626372 Ba\n0.626372 0.626372 0.626372 Ba\n0.626372 0.120884 0.626372 Ba\n0.626372 0.626372 0.120884 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Ba","Mg","Si"],"chemical_system":"Ba-Mg-Si","density":3.9612143677934144,"density_atomic":0.023787651634461577,"volume":252.23170795505084,"volume_molar":25.316247490675465,"formula_full":"Ba4 Mg1 Si1","formula_reduced":"Ba4MgSi","formula_anonymous":"ABC4","energy_above_hull":0.3244835883333332,"spacegroup":216},{"id":"jvasp-12164","created_at":"2022-09-04T14:35:51.114515Z","updated_at":"2022-09-04T14:35:51.114541Z","structure_string":"Y2 Br6\n1.0\n3.543448 6.120477 -0.002073\n-3.543448 6.120477 0.002073\n-2.365625 0.000000 6.353374\nY Br\n2 6\ndirect\n0.166388 0.166388 0.000000 Y\n0.833612 0.833612 0.000000 Y\n0.070758 0.582850 0.752175 Br\n0.417150 0.929242 0.752175 Br\n0.232856 0.767144 0.254525 Br\n0.767144 0.232856 0.745475 Br\n0.582851 0.070758 0.247825 Br\n0.929243 0.417150 0.247825 Br\n","nsites":8,"nelements":2,"elements":["Y","Br"],"chemical_system":"Br-Y","density":3.961130074291937,"density_atomic":0.029036137731774346,"volume":275.51873716474256,"volume_molar":20.74015771529404,"formula_full":"Y2 Br6","formula_reduced":"YBr3","formula_anonymous":"AB3","energy_above_hull":0.1718944412499999,"spacegroup":12},{"id":"jvasp-22715","created_at":"2022-09-04T14:36:07.413690Z","updated_at":"2022-09-04T14:36:07.413730Z","structure_string":"K2 Ca2 Bi2\n1.0\n5.359639 0.000000 0.000000\n-0.000000 5.359639 0.000000\n-0.000000 0.000000 8.410810\nK Ca Bi\n2 2 2\ndirect\n0.250000 0.250000 0.864328 K\n0.750000 0.750000 0.135672 K\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.250000 0.250000 0.288755 Bi\n0.750000 0.750000 0.711245 Bi\n","nsites":6,"nelements":3,"elements":["K","Ca","Bi"],"chemical_system":"Bi-Ca-K","density":3.960945942555698,"density_atomic":0.02483375262528809,"volume":241.60665891026994,"volume_molar":24.249821808515897,"formula_full":"K2 Ca2 Bi2","formula_reduced":"KCaBi","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":129},{"id":"jvasp-36296","created_at":"2022-09-04T14:37:20.140087Z","updated_at":"2022-09-04T14:37:20.140103Z","structure_string":"K1 Cu1 O1\n1.0\n2.918937 2.918937 -0.000000\n2.918937 0.000000 -2.918937\n0.000000 2.918937 -2.918937\nK Cu O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n0.750001 0.750001 0.750001 O\n","nsites":3,"nelements":3,"elements":["K","Cu","O"],"chemical_system":"Cu-K-O","density":3.9608611566262093,"density_atomic":0.060313855917159896,"volume":49.739814415454575,"volume_molar":9.984672126204819,"formula_full":"K1 Cu1 O1","formula_reduced":"KCuO","formula_anonymous":"ABC","energy_above_hull":0.2688233333333333,"spacegroup":216},{"id":"jvasp-74645","created_at":"2022-09-04T14:36:18.275533Z","updated_at":"2022-09-04T14:36:18.275557Z","structure_string":"Sr1 Be2 Cu1\n1.0\n-2.322990 2.322990 3.286142\n2.322990 -2.322990 3.286142\n2.322990 2.322990 -3.286142\nSr Be Cu\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Sr","Be","Cu"],"chemical_system":"Be-Cu-Sr","density":3.9608073958592716,"density_atomic":0.05639219422533189,"volume":70.93180279555718,"volume_molar":10.67903251988517,"formula_full":"Sr1 Be2 Cu1","formula_reduced":"SrBe2Cu","formula_anonymous":"ABC2","energy_above_hull":0.841502601875,"spacegroup":216}]}