{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4379","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4377","results":[{"id":"jvasp-103800","created_at":"2022-09-04T14:36:44.683094Z","updated_at":"2022-09-04T14:36:44.683116Z","structure_string":"H8 C6 O4\n1.0\n4.906153 0.000064 -0.000022\n-0.000035 4.617355 -1.409543\n0.000067 0.029901 6.444494\nH C O\n8 6 4\ndirect\n0.802473 0.009250 0.866723 H\n0.810916 0.105934 0.154464 H\n0.258355 0.412591 0.457234 H\n0.406647 0.530345 0.719158 H\n0.906650 0.469657 0.780731 H\n0.758352 0.587409 0.042655 H\n0.310923 0.894066 0.345422 H\n0.302468 0.990747 0.633162 H\n0.610586 0.683705 0.486014 C\n0.440746 0.946883 0.492225 C\n0.954530 0.552769 0.955847 C\n0.940744 0.053115 0.007663 C\n0.110586 0.316292 0.013877 C\n0.454533 0.447230 0.544043 C\n0.112366 0.811209 0.999119 O\n0.854802 0.667393 0.442828 O\n0.612370 0.188788 0.500773 O\n0.354799 0.332599 0.057060 O\n","nsites":18,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.6370106719774096,"density_atomic":0.12312170860899768,"volume":146.1968015499467,"volume_molar":4.8912095421975845,"formula_full":"H8 C6 O4","formula_reduced":"H4C3O2","formula_anonymous":"A2B3C4","energy_above_hull":4.3246618888888895,"spacegroup":4},{"id":"jvasp-101829","created_at":"2022-09-04T14:36:55.063251Z","updated_at":"2022-09-04T14:36:55.063276Z","structure_string":"H4 C6 S2 O4\n1.0\n4.481041 -0.127399 1.672479\n0.062840 6.212370 2.272410\n-0.034179 -0.058347 6.960962\nH C S O\n4 6 2 4\ndirect\n0.745524 0.838919 0.994729 H\n0.689835 0.557262 0.115200 H\n0.745848 0.339764 0.495490 H\n0.690670 0.058038 0.615430 H\n0.672686 0.709989 0.151257 C\n0.673197 0.210583 0.651851 C\n0.156497 0.244177 0.652368 C\n0.156013 0.744271 0.151566 C\n0.357608 0.745863 0.275947 C\n0.358040 0.246070 0.776673 C\n0.248901 0.797943 0.501228 S\n0.249201 0.297928 0.002069 S\n0.254806 0.279729 0.456254 O\n0.254193 0.780533 0.955345 O\n0.867776 0.704918 0.270964 O\n0.868145 0.205477 0.771660 O\n","nsites":16,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7409829492675772,"density_atomic":0.08214091956773245,"volume":194.78720331109253,"volume_molar":7.331474728663358,"formula_full":"H4 C6 S2 O4","formula_reduced":"H2C3SO2","formula_anonymous":"AB2C2D3","energy_above_hull":4.326515875,"spacegroup":1},{"id":"jvasp-88978","created_at":"2022-09-04T14:36:02.505998Z","updated_at":"2022-09-04T14:36:02.506020Z","structure_string":"Ca2 B4 C4\n1.0\n3.788121 0.000000 0.000000\n-0.000000 3.788121 0.000000\n0.000000 0.000000 7.511258\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.781114 0.500000 B\n0.218885 0.500000 0.000000 B\n0.500000 0.218885 0.500000 B\n0.781114 0.500000 0.000000 B\n0.500000 0.815269 0.000000 C\n0.815269 0.500000 0.500000 C\n0.184731 0.500000 0.500000 C\n0.500000 0.184731 0.000000 C\n","nsites":10,"nelements":3,"elements":["Ca","B","C"],"chemical_system":"B-C-Ca","density":2.6412407149098307,"density_atomic":0.09277685252298015,"volume":107.78550606168788,"volume_molar":6.490994893913178,"formula_full":"Ca2 B4 C4","formula_reduced":"Ca(BC)2","formula_anonymous":"AB2C2","energy_above_hull":4.326955117333334,"spacegroup":131},{"id":"jvasp-62718","created_at":"2022-09-04T14:35:41.141266Z","updated_at":"2022-09-04T14:35:41.141299Z","structure_string":"Ca2 B4 C4\n1.0\n3.788112 -0.000000 0.000000\n-0.000000 3.788112 0.000000\n0.000000 0.000000 7.510786\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.500000 0.218886 0.500000 B\n0.500000 0.781113 0.500000 B\n0.781113 0.500000 0.000000 B\n0.218886 0.500000 0.000000 B\n0.184732 0.500000 0.500000 C\n0.815268 0.500000 0.500000 C\n0.500000 0.184732 0.000000 C\n0.500000 0.815268 0.000000 C\n","nsites":10,"nelements":3,"elements":["Ca","B","C"],"chemical_system":"B-C-Ca","density":2.641419249492718,"density_atomic":0.09278312377140262,"volume":107.77822079624974,"volume_molar":6.490556164973753,"formula_full":"Ca2 B4 C4","formula_reduced":"Ca(BC)2","formula_anonymous":"AB2C2","energy_above_hull":4.326955117333334,"spacegroup":131},{"id":"jvasp-63225","created_at":"2022-09-04T14:36:18.070346Z","updated_at":"2022-09-04T14:36:18.070370Z","structure_string":"Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n","nsites":10,"nelements":3,"elements":["Ca","B","C"],"chemical_system":"B-C-Ca","density":2.6416465966753586,"density_atomic":0.09279110962286868,"volume":107.76894511384813,"volume_molar":6.489997570323077,"formula_full":"Ca2 B4 C4","formula_reduced":"Ca(BC)2","formula_anonymous":"AB2C2","energy_above_hull":4.326955117333334,"spacegroup":131},{"id":"jvasp-15139","created_at":"2022-09-04T14:36:42.210943Z","updated_at":"2022-09-04T14:36:42.210952Z","structure_string":"Er1 B2 Ru3\n1.0\n2.742801 -4.750671 -0.000000\n2.742801 4.750671 -0.000000\n-0.000000 0.000000 3.031742\nEr B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 -0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Er","B","Ru"],"chemical_system":"B-Er-Ru","density":10.342440461869193,"density_atomic":0.07594160301832742,"volume":79.0080767527647,"volume_molar":7.929962656367213,"formula_full":"Er1 B2 Ru3","formula_reduced":"ErB2Ru3","formula_anonymous":"AB2C3","energy_above_hull":4.327019444444446,"spacegroup":191},{"id":"jvasp-77284","created_at":"2022-09-04T14:37:52.385210Z","updated_at":"2022-09-04T14:37:52.385218Z","structure_string":"Al1 Tc2 Sb1\n1.0\n-8.749214 0.000000 -5.051361\n-9.128484 -0.015101 5.708277\n-5.952113 8.969029 0.206642\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.752156 -0.000000 -0.000000 Tc\n0.247844 -0.000000 -0.000000 Tc\n0.500000 -0.000000 -0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Al","Tc","Sb"],"chemical_system":"Al-Sb-Tc","density":0.6641074116291538,"density_atomic":0.004640402001120632,"volume":861.994283907735,"volume_molar":129.7762728001946,"formula_full":"Al1 Tc2 Sb1","formula_reduced":"AlTc2Sb","formula_anonymous":"ABC2","energy_above_hull":4.327025475,"spacegroup":71},{"id":"jvasp-97421","created_at":"2022-09-04T14:36:06.289818Z","updated_at":"2022-09-04T14:36:06.289830Z","structure_string":"Cu2 C8 O8\n1.0\n5.203732 -0.053357 1.917569\n1.834331 6.458236 1.796508\n-0.112537 0.653110 6.918222\nCu C O\n2 8 8\ndirect\n0.749999 0.110533 0.889467 Cu\n0.249999 0.889467 0.110534 Cu\n0.370641 0.976554 0.647752 C\n0.099158 0.549934 0.072404 C\n0.129358 0.352248 0.023446 C\n0.599158 0.072404 0.549934 C\n0.900841 0.450066 0.927597 C\n0.400841 0.927597 0.450067 C\n0.629358 0.023446 0.352248 C\n0.870641 0.647752 0.976554 C\n0.702301 0.821591 0.947485 O\n0.202301 0.947485 0.821591 O\n0.776008 0.402300 0.836206 O\n0.223991 0.597701 0.163794 O\n0.723991 0.163794 0.597701 O\n0.797698 0.052515 0.178409 O\n0.297698 0.178409 0.052515 O\n0.276008 0.836206 0.402300 O\n","nsites":18,"nelements":3,"elements":["Cu","C","O"],"chemical_system":"C-Cu-O","density":2.5268773522806858,"density_atomic":0.07799858071897496,"volume":230.7734299019249,"volume_molar":7.720833769652138,"formula_full":"Cu2 C8 O8","formula_reduced":"Cu(CO)4","formula_anonymous":"AB4C4","energy_above_hull":4.327284938888889,"spacegroup":15},{"id":"jvasp-117342","created_at":"2022-09-04T14:38:26.368490Z","updated_at":"2022-09-04T14:38:26.368523Z","structure_string":"U6 Al8 Fe5 Si9\n1.0\n10.209228 0.012822 -4.414004\n-0.496789 3.998724 -10.367032\n0.000328 -0.012822 11.122580\nU Al Fe Si\n6 8 5 9\ndirect\n0.872715 0.872714 -0.000001 U\n0.127285 0.127285 -0.000000 U\n0.189145 0.874758 0.314386 U\n0.439628 0.125241 0.314386 U\n0.560373 0.874758 0.685614 U\n0.810856 0.125241 0.685614 U\n0.150834 0.000000 0.150834 Al\n0.263980 0.763980 0.500000 Al\n0.736020 0.236019 0.500000 Al\n0.849166 0.000000 0.849166 Al\n0.336453 0.500000 0.836453 Al\n0.617121 0.617120 -0.000000 Al\n0.382879 0.382879 -0.000000 Al\n0.663547 0.499999 0.163547 Al\n0.028388 0.713559 0.314829 Fe\n0.601270 0.286440 0.314829 Fe\n0.000000 0.500000 0.500000 Fe\n0.971612 0.286440 0.685171 Fe\n0.398731 0.713559 0.685171 Fe\n0.933711 0.588507 0.345202 Si\n0.871215 0.739493 0.131720 Si\n0.392227 0.260506 0.131720 Si\n0.607774 0.739493 0.868279 Si\n0.128786 0.260506 0.868280 Si\n0.066290 0.411492 0.654798 Si\n0.243305 0.588508 0.654798 Si\n0.756695 0.411491 0.345202 Si\n0.500000 0.000000 0.500000 Si\n","nsites":28,"nelements":4,"elements":["U","Al","Fe","Si"],"chemical_system":"Al-Fe-Si-U","density":7.980784462347183,"density_atomic":0.06184314673762152,"volume":452.75833260545494,"volume_molar":9.737765747189096,"formula_full":"U6 Al8 Fe5 Si9","formula_reduced":"U6Al8Fe5Si9","formula_anonymous":"A5B6C8D9","energy_above_hull":4.327426189285715,"spacegroup":71},{"id":"jvasp-51299","created_at":"2022-09-04T14:36:39.625737Z","updated_at":"2022-09-04T14:36:39.625762Z","structure_string":"Hf2 Bi1 B1\n1.0\n-0.000000 3.435310 3.435310\n3.435310 0.000000 3.435310\n3.435310 3.435310 0.000000\nHf Bi B\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 B\n","nsites":4,"nelements":3,"elements":["Hf","Bi","B"],"chemical_system":"B-Bi-Hf","density":11.812042969672046,"density_atomic":0.0493323943948093,"volume":81.08262428918057,"volume_molar":12.207274416491009,"formula_full":"Hf2 Bi1 B1","formula_reduced":"Hf2BiB","formula_anonymous":"ABC2","energy_above_hull":4.327478220833333,"spacegroup":216},{"id":"jvasp-38037","created_at":"2022-09-04T14:36:59.730572Z","updated_at":"2022-09-04T14:36:59.730600Z","structure_string":"Ca2 Mo2 N6\n1.0\n3.511753 0.000000 0.000000\n0.000000 4.283192 0.000000\n0.000000 0.000000 8.724055\nCa Mo N\n2 2 6\ndirect\n0.500000 0.500000 0.819880 Ca\n0.500000 0.000000 0.183860 Ca\n0.000000 0.000000 0.613267 Mo\n0.000000 0.500000 0.402551 Mo\n0.000000 0.000000 0.390087 N\n0.500000 0.500000 0.312364 N\n0.000000 0.644248 0.026324 N\n0.000000 0.500000 0.624567 N\n0.500000 0.000000 0.705505 N\n0.000000 0.355752 0.026324 N\n","nsites":10,"nelements":3,"elements":["Ca","Mo","N"],"chemical_system":"Ca-Mo-N","density":4.5059061755084775,"density_atomic":0.07620616387627892,"volume":131.2229810732246,"volume_molar":7.902432629697745,"formula_full":"Ca2 Mo2 N6","formula_reduced":"CaMoN3","formula_anonymous":"ABC3","energy_above_hull":4.327679214,"spacegroup":25},{"id":"jvasp-51192","created_at":"2022-09-04T14:36:38.702468Z","updated_at":"2022-09-04T14:36:38.702497Z","structure_string":"Ca1 Re2 Si1\n1.0\n0.000000 3.163717 3.163717\n3.163717 -0.000000 3.163717\n3.163717 3.163717 0.000000\nCa Re Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Re\n0.750001 0.750001 0.750001 Re\n0.500000 0.500000 0.500000 Si\n","nsites":4,"nelements":3,"elements":["Ca","Re","Si"],"chemical_system":"Ca-Re-Si","density":11.551769952361669,"density_atomic":0.06315927136932876,"volume":63.33195290695625,"volume_molar":9.534848375284543,"formula_full":"Ca1 Re2 Si1","formula_reduced":"CaRe2Si","formula_anonymous":"ABC2","energy_above_hull":4.327878755,"spacegroup":225}]}