{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4589","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4587","results":[{"id":"jvasp-1375","created_at":"2022-09-04T14:35:46.136120Z","updated_at":"2022-09-04T14:35:46.136150Z","structure_string":"Li3 N1\n1.0\n1.801662 -3.120570 0.000000\n1.801662 3.120570 0.000000\n0.000000 0.000000 3.839690\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666666 0.333332 0.000000 Li\n0.333332 0.666666 0.000000 Li\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["Li","N"],"chemical_system":"Li-N","density":1.3395700379089321,"density_atomic":0.09264598120516611,"volume":43.17510536309105,"volume_molar":6.5001640456091305,"formula_full":"Li3 N1","formula_reduced":"Li3N","formula_anonymous":"AB3","energy_above_hull":1.6751733125,"spacegroup":191},{"id":"jvasp-12765","created_at":"2022-09-04T14:37:05.613660Z","updated_at":"2022-09-04T14:37:05.613698Z","structure_string":"C8 N8\n1.0\n6.006930 -0.000000 0.000000\n0.000000 6.144037 0.000000\n0.000000 0.000000 6.991306\nC N\n8 8\ndirect\n0.095109 0.969957 0.047436 C\n0.595109 0.030044 0.452564 C\n0.404891 0.469957 0.952564 C\n0.904891 0.530044 0.547437 C\n0.904891 0.030044 0.952564 C\n0.404891 0.969957 0.547437 C\n0.595109 0.530044 0.047436 C\n0.095109 0.469957 0.452564 C\n0.256965 0.918952 0.127314 N\n0.756965 0.081048 0.372686 N\n0.243035 0.418952 0.872686 N\n0.743035 0.581048 0.627314 N\n0.743035 0.081048 0.872686 N\n0.243035 0.918952 0.627314 N\n0.756965 0.581048 0.127314 N\n0.256965 0.418952 0.372686 N\n","nsites":16,"nelements":2,"elements":["C","N"],"chemical_system":"C-N","density":1.3394862934694145,"density_atomic":0.062009078602405454,"volume":258.02673351413625,"volume_molar":9.71170818165711,"formula_full":"C8 N8","formula_reduced":"CN","formula_anonymous":"AB","energy_above_hull":4.058726625,"spacegroup":61},{"id":"jvasp-32451","created_at":"2022-09-04T14:37:06.288962Z","updated_at":"2022-09-04T14:37:06.288970Z","structure_string":"H10 C2 N2 O4\n1.0\n3.676312 0.000000 -0.023144\n0.000000 4.682964 0.000000\n0.131135 0.000000 9.080268\nH C N O\n10 2 2 4\ndirect\n0.826134 0.963787 0.586726 H\n0.488939 0.438813 0.271239 H\n0.158114 0.261841 0.020400 H\n0.850948 0.107199 0.901462 H\n0.488938 0.561186 0.771239 H\n0.173029 0.901488 0.989875 H\n0.173029 0.098511 0.489875 H\n0.850948 0.892800 0.401462 H\n0.158113 0.738158 0.520400 H\n0.826135 0.036213 0.086727 H\n0.496424 0.620018 0.191496 C\n0.496423 0.379981 0.691496 C\n0.002081 0.078534 0.998103 N\n0.002081 0.921465 0.498103 N\n0.404245 0.569795 0.059694 O\n0.597379 0.861805 0.239509 O\n0.597379 0.138194 0.739509 O\n0.404245 0.430204 0.559694 O\n","nsites":18,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.3394715419307774,"density_atomic":0.11513335873531408,"volume":156.34044031826704,"volume_molar":5.23057854487213,"formula_full":"H10 C2 N2 O4","formula_reduced":"H5CNO2","formula_anonymous":"ABC2D5","energy_above_hull":3.717796694444444,"spacegroup":7},{"id":"jvasp-104107","created_at":"2022-09-04T14:36:44.316271Z","updated_at":"2022-09-04T14:36:44.316288Z","structure_string":"H6 C6 N2\n1.0\n5.740713 0.189189 -0.000150\n-3.751609 4.349368 -0.000150\n0.000108 0.000248 5.131104\nH C N\n6 6 2\ndirect\n0.870595 0.698176 0.394543 H\n0.698175 0.870597 0.894542 H\n0.698186 0.870602 0.414026 H\n0.870602 0.698187 0.914026 H\n0.269018 0.433758 0.654284 H\n0.433757 0.269018 0.154285 H\n0.656398 0.656398 0.404286 C\n0.656398 0.656399 0.904285 C\n0.486945 0.479635 0.654284 C\n0.479634 0.486946 0.154284 C\n0.423562 0.189656 0.654283 C\n0.189655 0.423562 0.154284 C\n0.369382 0.957696 0.654290 N\n0.957695 0.369382 0.154290 N\n","nsites":14,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.3374937722767204,"density_atomic":0.10625564730011636,"volume":131.75770282079557,"volume_molar":5.667595947150572,"formula_full":"H6 C6 N2","formula_reduced":"H3C3N","formula_anonymous":"AB3C3","energy_above_hull":5.055813321428571,"spacegroup":40},{"id":"jvasp-109053","created_at":"2022-09-04T14:37:48.683513Z","updated_at":"2022-09-04T14:37:48.683537Z","structure_string":"Li6 Sc2\n1.0\n6.178150 -0.000000 0.000000\n-3.089075 5.350435 0.000000\n-0.000000 -0.000000 4.957159\nLi Sc\n6 2\ndirect\n0.163155 0.326308 0.250000 Li\n0.673693 0.836845 0.250000 Li\n0.163155 0.836845 0.250000 Li\n0.836846 0.673692 0.750000 Li\n0.326308 0.163154 0.750000 Li\n0.836846 0.163154 0.750000 Li\n0.333334 0.666666 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n","nsites":8,"nelements":2,"elements":["Li","Sc"],"chemical_system":"Li-Sc","density":1.333169560758118,"density_atomic":0.048821328966993253,"volume":163.86280687706346,"volume_molar":12.335061104279655,"formula_full":"Li6 Sc2","formula_reduced":"Li3Sc","formula_anonymous":"AB3","energy_above_hull":1.2166213125000005,"spacegroup":194},{"id":"jvasp-114818","created_at":"2022-09-04T14:38:43.976133Z","updated_at":"2022-09-04T14:38:43.976151Z","structure_string":"Co1 Se1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nCo Se O\n1 1 1\ndirect\n0.371636 -0.058114 0.000000 Co\n0.002536 0.345929 0.000000 Se\n-0.138345 -0.078231 0.000000 O\n","nsites":3,"nelements":3,"elements":["Co","Se","O"],"chemical_system":"Co-O-Se","density":1.3306331737355543,"density_atomic":0.015621142021024966,"volume":192.04741855379137,"volume_molar":38.55121957085225,"formula_full":"Co1 Se1 O1","formula_reduced":"CoSeO","formula_anonymous":"ABC","energy_above_hull":3.026492588888889,"spacegroup":6},{"id":"jvasp-118891","created_at":"2022-09-04T14:38:50.711368Z","updated_at":"2022-09-04T14:38:50.711383Z","structure_string":"Li2 F1\n1.0\n2.705373 0.000000 0.000000\n0.000000 2.981696 0.000000\n0.000000 0.000000 5.087237\nLi F\n2 1\ndirect\n-0.033326 0.000000 0.756234 Li\n-0.033326 0.000000 0.243767 Li\n0.466652 0.000000 0.000000 F\n","nsites":3,"nelements":2,"elements":["Li","F"],"chemical_system":"F-Li","density":1.330496532977374,"density_atomic":0.0731052842294585,"volume":41.036705234381955,"volume_molar":8.237627174935897,"formula_full":"Li2 F1","formula_reduced":"Li2F","formula_anonymous":"AB2","energy_above_hull":0.6753166666666668,"spacegroup":47},{"id":"jvasp-112235","created_at":"2022-09-04T14:38:47.205937Z","updated_at":"2022-09-04T14:38:47.205957Z","structure_string":"H24 C16 O4\n1.0\n7.464379 0.000000 -1.456496\n0.000000 6.257319 0.000000\n-0.165071 0.000000 7.528081\nH C O\n24 16 4\ndirect\n0.191939 0.558525 0.066803 H\n0.602519 0.729202 0.662404 H\n0.397481 0.229202 0.337596 H\n0.181782 0.196544 0.534439 H\n0.882640 0.430404 0.529155 H\n0.117360 0.930404 0.470844 H\n0.015364 0.584473 0.409828 H\n0.984636 0.084473 0.590172 H\n0.666403 0.115692 0.646537 H\n0.333598 0.615692 0.353463 H\n0.500255 0.591137 0.907373 H\n0.499745 0.091137 0.092627 H\n0.818218 0.696544 0.465560 H\n0.108689 0.189040 0.919871 H\n0.891312 0.689040 0.080129 H\n0.808061 0.058525 0.933197 H\n-0.001259 0.281371 0.204475 H\n0.174545 0.628800 0.740746 H\n0.001259 0.781371 0.795524 H\n0.371130 0.933324 0.745595 H\n0.628871 0.433324 0.254405 H\n0.304420 0.292514 0.859441 H\n0.695581 0.792514 0.140559 H\n0.825456 0.128800 0.259253 H\n0.876145 0.550315 0.421499 C\n0.754292 0.647059 0.095057 C\n0.123855 0.050315 0.578500 C\n0.616766 0.274800 0.677657 C\n0.383234 0.774800 0.322343 C\n0.645578 0.582941 0.907985 C\n0.354423 0.082941 0.092015 C\n0.245708 0.147059 0.904943 C\n0.149992 0.767844 0.822535 C\n0.233389 0.971673 0.760844 C\n0.850009 0.267844 0.177464 C\n0.784400 0.218879 0.981079 C\n0.215600 0.718879 0.018920 C\n0.690160 0.357758 0.858681 C\n0.309840 0.857758 0.141318 C\n0.766611 0.471673 0.239156 C\n0.312265 0.237502 0.218778 O\n0.499446 0.867905 0.437239 O\n0.500554 0.367905 0.562761 O\n0.687736 0.737502 0.781221 O\n","nsites":44,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.3297195575890919,"density_atomic":0.1256749078737107,"volume":350.10966583890485,"volume_molar":4.791840202541929,"formula_full":"H24 C16 O4","formula_reduced":"H6C4O","formula_anonymous":"AB4C6","energy_above_hull":4.597050318181819,"spacegroup":4},{"id":"jvasp-114604","created_at":"2022-09-04T14:38:42.620483Z","updated_at":"2022-09-04T14:38:42.620508Z","structure_string":"Ca1 Be1 Se1\n1.0\n4.628876 0.000000 0.000000\n0.000000 4.628876 -0.000000\n0.000000 -0.000000 7.464465\nCa Be Se\n1 1 1\ndirect\n0.000000 0.000000 0.660013 Ca\n0.000000 0.000000 0.275731 Be\n0.000000 0.000000 0.008838 Se\n","nsites":3,"nelements":3,"elements":["Ca","Be","Se"],"chemical_system":"Be-Ca-Se","density":1.3294729876222249,"density_atomic":0.01875734968696625,"volume":159.93730724573433,"volume_molar":32.105499233639335,"formula_full":"Ca1 Be1 Se1","formula_reduced":"CaBeSe","formula_anonymous":"ABC","energy_above_hull":0.9331899622222224,"spacegroup":99},{"id":"jvasp-115817","created_at":"2022-09-04T14:38:48.760382Z","updated_at":"2022-09-04T14:38:48.760398Z","structure_string":"Ca1 Zn1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nCa Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.242534 Ca\n0.000000 0.000000 0.762454 Zn\n0.000000 0.000000 0.006664 O\n","nsites":3,"nelements":3,"elements":["Ca","Zn","O"],"chemical_system":"Ca-O-Zn","density":1.3294539799901723,"density_atomic":0.019770506832558536,"volume":151.74117818059824,"volume_molar":30.460224469726775,"formula_full":"Ca1 Zn1 O1","formula_reduced":"CaZnO","formula_anonymous":"ABC","energy_above_hull":0.09123,"spacegroup":99},{"id":"jvasp-118311","created_at":"2022-09-04T14:38:32.536433Z","updated_at":"2022-09-04T14:38:32.536457Z","structure_string":"Sn1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nSn O F\n1 1 1\ndirect\n-0.042863 -0.059246 0.000000 Sn\n0.042700 0.296398 0.000000 O\n0.287861 -0.006641 0.000000 F\n","nsites":3,"nelements":3,"elements":["Sn","O","F"],"chemical_system":"F-O-Sn","density":1.3290353704149052,"density_atomic":0.015621142021024966,"volume":192.04741855379137,"volume_molar":38.55121957085225,"formula_full":"Sn1 O1 F1","formula_reduced":"SnOF","formula_anonymous":"ABC","energy_above_hull":0.6686984941666668,"spacegroup":6},{"id":"jvasp-97631","created_at":"2022-09-04T14:38:14.999899Z","updated_at":"2022-09-04T14:38:14.999926Z","structure_string":"Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n","nsites":36,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.3285516217232178,"density_atomic":0.03994749814365003,"volume":901.1828443059203,"volume_molar":15.075138719187267,"formula_full":"Si12 O24","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.4169285333333337,"spacegroup":194}]}