{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=102","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=100","results":[{"id":"jvasp-64902","created_at":"2022-09-04T14:35:55.596660Z","updated_at":"2022-09-04T14:35:55.596678Z","structure_string":"Sc1 Be1 Mo4\n1.0\n-0.000000 3.709437 3.709437\n3.709437 -0.000000 3.709437\n3.709437 3.709437 -0.000000\nSc Be Mo\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Be\n0.374296 0.374296 0.374296 Mo\n0.374296 0.877114 0.374296 Mo\n0.374296 0.374296 0.877114 Mo\n0.877114 0.374296 0.374296 Mo\n","nsites":6,"nelements":3,"elements":["Sc","Be","Mo"],"chemical_system":"Be-Mo-Sc","density":7.120320200644516,"density_atomic":0.05877562501533791,"volume":102.08313392557302,"volume_molar":10.245983362028868,"formula_full":"Sc1 Be1 Mo4","formula_reduced":"ScBeMo4","formula_anonymous":"ABC4","energy_above_hull":5.313674158333334,"spacegroup":216},{"id":"jvasp-101101","created_at":"2022-09-04T14:36:44.004639Z","updated_at":"2022-09-04T14:36:44.004667Z","structure_string":"Ti5 C1 N4\n1.0\n2.996521 0.001823 12.071129\n1.477403 2.606994 12.071129\n0.003127 0.001823 12.437496\nTi C N\n5 1 4\ndirect\n0.600557 0.600554 0.600558 Ti\n0.000000 0.000000 0.000000 Ti\n0.399445 0.399442 0.399445 Ti\n0.199918 0.199917 0.199918 Ti\n0.800084 0.800079 0.800085 Ti\n0.500001 0.499998 0.500001 C\n0.098953 0.098953 0.098953 N\n0.699833 0.699829 0.699834 N\n0.300169 0.300167 0.300169 N\n0.901049 0.901043 0.901050 N\n","nsites":10,"nelements":3,"elements":["Ti","C","N"],"chemical_system":"C-N-Ti","density":5.262148833385557,"density_atomic":0.1030977103861562,"volume":96.99536451919872,"volume_molar":5.841197382021245,"formula_full":"Ti5 C1 N4","formula_reduced":"Ti5CN4","formula_anonymous":"AB4C5","energy_above_hull":5.313613466666667,"spacegroup":166},{"id":"jvasp-37744","created_at":"2022-09-04T14:38:11.421421Z","updated_at":"2022-09-04T14:38:11.421442Z","structure_string":"W2 N4\n1.0\n4.839939 -0.000000 0.000000\n0.000000 4.839939 0.000000\n0.000000 0.000000 2.969702\nW N\n2 4\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.697264 0.697264 0.000000 N\n0.302736 0.302736 0.000000 N\n0.197264 0.802736 0.500000 N\n0.802736 0.197264 0.500000 N\n","nsites":6,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":10.113975187741058,"density_atomic":0.08624990051342935,"volume":69.56529763261331,"volume_molar":6.982200239248202,"formula_full":"W2 N4","formula_reduced":"WN2","formula_anonymous":"AB2","energy_above_hull":5.309018833333333,"spacegroup":136},{"id":"jvasp-93833","created_at":"2022-09-04T14:35:49.634942Z","updated_at":"2022-09-04T14:35:49.634979Z","structure_string":"W2 N4\n1.0\n-1.468227 -2.543048 0.000000\n-1.468227 2.543048 0.000000\n0.000000 -0.000000 -7.805727\nW N\n2 4\ndirect\n0.333329 0.666673 0.750000 W\n0.666673 0.333329 0.250000 W\n0.999997 0.000005 0.590030 N\n0.000005 0.999997 0.409970 N\n0.000005 0.999997 0.090030 N\n0.999997 0.000005 0.909970 N\n","nsites":6,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":12.070448679783823,"density_atomic":0.10293430411473374,"volume":58.28960570144056,"volume_molar":5.850470172982892,"formula_full":"W2 N4","formula_reduced":"WN2","formula_anonymous":"AB2","energy_above_hull":5.3089388333333325,"spacegroup":194},{"id":"jvasp-103789","created_at":"2022-09-04T14:37:04.653974Z","updated_at":"2022-09-04T14:37:04.653996Z","structure_string":"H20 C18\n1.0\n5.205596 -0.187631 -1.378512\n-1.258828 6.280549 -0.159138\n-0.405847 -0.255027 9.860636\nH C\n20 18\ndirect\n0.730180 0.512744 0.167065 H\n0.533345 0.830875 0.827265 H\n0.750066 0.566060 0.407100 H\n0.250074 0.566062 0.907103 H\n0.053087 0.883924 0.566969 H\n0.553091 0.883928 0.066974 H\n0.113261 0.191425 0.207889 H\n0.613274 0.191428 0.707886 H\n0.240216 0.186752 0.487629 H\n0.740227 0.186748 -0.012373 H\n0.033331 0.830873 0.327262 H\n0.154999 0.152612 0.760364 H\n0.654993 0.152612 0.260371 H\n0.894288 0.405069 0.744729 H\n0.394276 0.405066 0.244728 H\n0.230186 0.512748 0.667070 H\n0.563270 0.064521 0.409655 H\n0.565733 0.369216 0.901505 H\n0.065730 0.369222 0.401507 H\n0.063284 0.064526 0.909651 H\n0.413055 0.592972 0.645719 C\n0.465371 0.515418 0.524369 C\n0.913052 0.592969 0.145715 C\n0.309052 0.260805 0.287525 C\n0.809063 0.260806 0.787523 C\n0.816147 0.882996 0.708357 C\n0.316141 0.882997 0.208358 C\n0.965375 0.515417 0.024367 C\n0.200013 0.621637 0.999226 C\n0.372120 0.802850 0.089830 C\n0.700012 0.621638 0.499225 C\n0.260822 0.327207 0.426950 C\n0.760831 0.327207 0.926950 C\n0.481597 0.092437 0.297374 C\n0.981605 0.092437 0.797370 C\n0.083899 0.772070 0.235843 C\n0.872123 0.802850 0.589829 C\n0.583908 0.772073 0.735847 C\n","nsites":38,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.242487781191952,"density_atomic":0.12030078091906538,"volume":315.87492375103716,"volume_molar":5.005903298376349,"formula_full":"H20 C18","formula_reduced":"H10C9","formula_anonymous":"A9B10","energy_above_hull":5.308392105263158,"spacegroup":1},{"id":"jvasp-112214","created_at":"2022-09-04T14:38:46.452363Z","updated_at":"2022-09-04T14:38:46.452391Z","structure_string":"H20 C19 O4\n1.0\n5.102626 0.027232 0.570165\n0.256927 7.342241 1.553045\n-0.062030 0.071308 9.831629\nH C O\n20 19 4\ndirect\n0.960684 0.398556 0.117126 H\n0.963328 0.557422 0.592695 H\n0.621097 0.583476 0.573521 H\n0.743438 0.635897 0.721364 H\n0.754977 0.250104 0.655385 H\n0.531092 0.327330 0.780126 H\n0.923651 0.994821 0.840502 H\n0.278924 0.050170 0.987361 H\n0.036505 0.122940 0.105402 H\n0.423107 0.354997 0.497802 H\n0.685707 0.068356 0.960411 H\n0.115709 0.823076 0.641577 H\n0.431694 0.052517 0.654338 H\n0.361842 0.610720 0.408973 H\n0.342931 0.914722 0.251085 H\n0.844646 0.824537 0.170222 H\n0.861434 0.542400 0.314636 H\n0.759703 0.207553 0.316439 H\n0.776134 0.903299 0.470427 H\n0.940048 0.686410 0.969340 H\n0.107643 0.957083 0.572237 C\n0.767596 0.541689 0.649414 C\n0.731263 0.345345 0.727540 C\n0.920662 0.278396 0.836703 C\n0.892120 0.083276 0.917511 C\n0.075673 0.030110 0.032602 C\n0.278804 0.258435 0.490292 C\n0.286286 0.086402 0.579045 C\n0.919260 0.002012 0.476385 C\n0.375545 0.407820 0.101197 C\n0.091163 0.305262 0.394057 C\n0.093225 0.677463 0.040877 C\n0.049704 0.837112 0.121775 C\n0.229789 0.802443 0.237327 C\n0.239656 0.637686 0.322285 C\n0.068375 0.493047 0.298866 C\n0.106080 0.487056 0.139097 C\n0.353855 0.689479 0.953213 C\n0.910728 0.174418 0.388859 C\n0.481602 0.262937 0.148863 O\n0.513292 0.533363 0.996787 O\n0.437386 0.809740 0.859458 O\n0.089366 0.376187 0.858970 O\n","nsites":43,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4095758056792342,"density_atomic":0.1168564793777312,"volume":367.97274938435555,"volume_molar":5.153450447992541,"formula_full":"H20 C19 O4","formula_reduced":"H20C19O4","formula_anonymous":"A4B19C20","energy_above_hull":5.307404976744187,"spacegroup":1},{"id":"jvasp-117692","created_at":"2022-09-04T14:38:26.527830Z","updated_at":"2022-09-04T14:38:26.527857Z","structure_string":"Be1 Nb1 Os1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.948532\nBe Nb Os\n1 1 1\ndirect\n0.000000 0.000000 0.252080 Be\n0.000000 0.000000 0.013388 Nb\n0.000000 0.000000 0.796215 Os\n","nsites":3,"nelements":3,"elements":["Be","Nb","Os"],"chemical_system":"Be-Nb-Os","density":1.7413721771235129,"density_atomic":0.01076861884722485,"volume":278.58725826971965,"volume_molar":55.92305610809086,"formula_full":"Be1 Nb1 Os1","formula_reduced":"BeNbOs","formula_anonymous":"ABC","energy_above_hull":5.307286833333333,"spacegroup":99},{"id":"jvasp-56927","created_at":"2022-09-04T14:37:10.971055Z","updated_at":"2022-09-04T14:37:10.971074Z","structure_string":"Nb10 Si6\n1.0\n3.803127 -6.587209 0.000000\n3.803127 6.587209 -0.000000\n-0.000000 -0.000000 5.313342\nNb Si\n10 6\ndirect\n0.248908 0.248908 0.750000 Nb\n0.751093 0.000000 0.750000 Nb\n0.000000 0.248907 0.250000 Nb\n0.333333 0.666667 0.000000 Nb\n0.000000 0.751093 0.750000 Nb\n0.666667 0.333333 0.000000 Nb\n0.248907 0.000000 0.250000 Nb\n0.333333 0.666667 0.500000 Nb\n0.751093 0.751093 0.250000 Nb\n0.666667 0.333333 0.500000 Nb\n0.392557 0.392557 0.250000 Si\n0.000000 0.607443 0.250000 Si\n0.000000 0.392557 0.750000 Si\n0.607443 0.000000 0.250000 Si\n0.607443 0.607443 0.750000 Si\n0.392557 0.000000 0.750000 Si\n","nsites":16,"nelements":2,"elements":["Nb","Si"],"chemical_system":"Nb-Si","density":6.846111662025028,"density_atomic":0.060100757379915264,"volume":266.2196068322252,"volume_molar":10.020074658846987,"formula_full":"Nb10 Si6","formula_reduced":"Nb5Si3","formula_anonymous":"A3B5","energy_above_hull":5.3061141,"spacegroup":193},{"id":"jvasp-22351","created_at":"2022-09-04T14:37:42.338808Z","updated_at":"2022-09-04T14:37:42.338838Z","structure_string":"Sc1 B12\n1.0\n4.538907 -0.000000 2.620539\n1.512969 4.279323 2.620539\n-0.000000 -0.000000 5.241079\nSc B\n1 12\ndirect\n0.000000 0.000000 0.000000 Sc\n0.161140 0.500000 0.500000 B\n0.838861 0.500000 0.500000 B\n0.500001 0.500000 0.838860 B\n0.838860 0.161140 0.500000 B\n0.500001 0.838859 0.161140 B\n0.500000 0.161140 0.838860 B\n0.500001 0.838859 0.500000 B\n0.838861 0.500000 0.161140 B\n0.161141 0.838859 0.500000 B\n0.500000 0.161140 0.500000 B\n0.161140 0.500000 0.838860 B\n0.500001 0.500000 0.161140 B\n","nsites":13,"nelements":2,"elements":["Sc","B"],"chemical_system":"B-Sc","density":2.8494752757681527,"density_atomic":0.12770158688123462,"volume":101.79983129019607,"volume_molar":4.715791641337024,"formula_full":"Sc1 B12","formula_reduced":"ScB12","formula_anonymous":"AB12","energy_above_hull":5.305775096153846,"spacegroup":225},{"id":"jvasp-63343","created_at":"2022-09-04T14:35:57.001449Z","updated_at":"2022-09-04T14:35:57.001477Z","structure_string":"Sc1 B12\n1.0\n-2.620526 2.620526 3.705953\n2.620526 -2.620526 3.705953\n2.620526 2.620526 -3.705953\nSc B\n1 12\ndirect\n0.000000 0.000000 0.000000 Sc\n0.838862 0.500000 0.338863 B\n0.161138 0.500001 0.661139 B\n0.500000 0.838862 0.338863 B\n0.500001 0.161138 0.661139 B\n0.500000 0.500000 0.661140 B\n0.838860 0.838860 0.338862 B\n0.838860 0.499999 0.000000 B\n0.499999 0.838860 0.000000 B\n0.500000 0.161139 0.000000 B\n0.161139 0.500000 0.000000 B\n0.161140 0.161140 0.661140 B\n0.500000 0.500000 0.338862 B\n","nsites":13,"nelements":2,"elements":["Sc","B"],"chemical_system":"B-Sc","density":2.8495422908554326,"density_atomic":0.12770459021769567,"volume":101.79743717777988,"volume_molar":4.7156807360911355,"formula_full":"Sc1 B12","formula_reduced":"ScB12","formula_anonymous":"AB12","energy_above_hull":5.305773557692308,"spacegroup":225},{"id":"jvasp-71001","created_at":"2022-09-04T14:35:53.347747Z","updated_at":"2022-09-04T14:35:53.347775Z","structure_string":"Ta2 Be1 Mo1\n1.0\n3.239686 0.000000 0.000000\n0.000000 3.239686 0.000000\n0.000000 0.000000 5.849595\nTa Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.988610 Ta\n0.500001 0.500001 0.279762 Ta\n0.000000 0.000000 0.512678 Be\n0.500001 0.500001 0.718952 Mo\n","nsites":4,"nelements":3,"elements":["Ta","Be","Mo"],"chemical_system":"Be-Mo-Ta","density":12.626788595866657,"density_atomic":0.06515209039721946,"volume":61.39480676080826,"volume_molar":9.243204206164675,"formula_full":"Ta2 Be1 Mo1","formula_reduced":"Ta2BeMo","formula_anonymous":"ABC2","energy_above_hull":5.305547599999999,"spacegroup":99},{"id":"jvasp-65026","created_at":"2022-09-04T14:35:55.043416Z","updated_at":"2022-09-04T14:35:55.043445Z","structure_string":"Be1 Ir4 W1\n1.0\n0.000000 3.607037 3.607037\n3.607037 -0.000000 3.607037\n3.607037 3.607037 0.000000\nBe Ir W\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123213 0.625596 0.625596 Ir\n0.625596 0.625596 0.625596 Ir\n0.625596 0.123213 0.625596 Ir\n0.625596 0.625596 0.123213 Ir\n0.250000 0.250000 0.250000 W\n","nsites":6,"nelements":3,"elements":["Be","Ir","W"],"chemical_system":"Be-Ir-W","density":17.01437655128556,"density_atomic":0.06392481253194332,"volume":93.860267435306,"volume_molar":9.420662371110948,"formula_full":"Be1 Ir4 W1","formula_reduced":"BeIr4W","formula_anonymous":"ABC4","energy_above_hull":5.304625083333333,"spacegroup":216}]}