{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4564","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4562","results":[{"id":"jvasp-101021","created_at":"2022-09-04T14:37:09.314404Z","updated_at":"2022-09-04T14:37:09.314424Z","structure_string":"Ta2 V1 Ir1\n1.0\n3.881764 -0.000000 2.241137\n1.293921 3.659762 2.241137\n-0.000000 -0.000000 4.482275\nTa V Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.750000 0.750001 Ta\n0.000000 0.000000 0.000000 V\n0.499999 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Ta","V","Ir"],"chemical_system":"Ir-Ta-V","density":15.778399604226815,"density_atomic":0.0628173370216542,"volume":63.67668846931752,"volume_molar":9.586749527322477,"formula_full":"Ta2 V1 Ir1","formula_reduced":"Ta2VIr","formula_anonymous":"ABC2","energy_above_hull":5.494900925,"spacegroup":225},{"id":"jvasp-36743","created_at":"2022-09-04T14:38:00.459891Z","updated_at":"2022-09-04T14:38:00.459917Z","structure_string":"Nb6 Al2 C4\n1.0\n1.573086 -2.724665 -0.000000\n1.573086 2.724665 -0.000000\n-0.000000 0.000000 19.249529\nNb Al C\n6 2 4\ndirect\n0.666668 0.333335 0.633799 Nb\n0.333335 0.666668 0.133799 Nb\n0.333335 0.666668 0.366201 Nb\n0.666668 0.333335 0.866201 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.333335 0.666668 0.569410 C\n0.666668 0.333335 0.069410 C\n0.333335 0.666668 0.930590 C\n0.666668 0.333335 0.430590 C\n","nsites":12,"nelements":3,"elements":["Nb","Al","C"],"chemical_system":"Al-C-Nb","density":6.63607735590279,"density_atomic":0.0727219580471959,"volume":165.01205856162602,"volume_molar":8.281048697962293,"formula_full":"Nb6 Al2 C4","formula_reduced":"Nb3AlC2","formula_anonymous":"AB2C3","energy_above_hull":5.497541833333333,"spacegroup":194},{"id":"jvasp-101375","created_at":"2022-09-04T14:36:32.661028Z","updated_at":"2022-09-04T14:36:32.661056Z","structure_string":"Fe21 W2 C6\n1.0\n6.315217 -0.000091 3.646324\n2.104988 5.954088 3.646322\n0.000428 0.000301 7.291907\nFe W C\n21 2 6\ndirect\n0.616692 0.616691 0.149864 Fe\n0.383307 0.383309 0.850136 Fe\n0.999985 0.666247 0.333749 Fe\n0.666293 0.333707 -0.000001 Fe\n0.850172 0.383291 0.383266 Fe\n0.383291 0.850172 0.383267 Fe\n0.000013 0.000012 0.666208 Fe\n0.149827 0.616709 0.616734 Fe\n0.616710 0.616710 0.616772 Fe\n0.999991 0.666269 0.000033 Fe\n0.000005 0.000001 0.999998 Fe\n0.333708 0.666293 -0.000000 Fe\n0.383290 0.383290 0.383226 Fe\n0.616710 0.149828 0.616731 Fe\n0.999989 0.999986 0.333792 Fe\n0.333756 0.000016 0.666248 Fe\n0.666248 0.999985 0.333747 Fe\n0.000008 0.333734 -0.000032 Fe\n0.666267 -0.000007 0.000031 Fe\n0.000016 0.333753 0.666249 Fe\n0.333737 0.000008 0.999967 Fe\n0.249975 0.249974 0.250046 W\n0.750024 0.750025 0.749954 W\n0.724242 0.724242 0.275754 C\n0.275733 0.724262 0.275765 C\n0.275759 0.275758 0.724245 C\n0.275736 0.724268 0.724236 C\n0.724263 0.275733 0.275762 C\n0.724266 0.275738 0.724235 C\n","nsites":29,"nelements":3,"elements":["Fe","W","C"],"chemical_system":"C-Fe-W","density":9.766098254667572,"density_atomic":0.10577259886092658,"volume":274.1730874754263,"volume_molar":5.693479053037278,"formula_full":"Fe21 W2 C6","formula_reduced":"Fe21(WC3)2","formula_anonymous":"A2B6C21","energy_above_hull":5.4993377758620685,"spacegroup":225},{"id":"jvasp-103818","created_at":"2022-09-04T14:36:54.650012Z","updated_at":"2022-09-04T14:36:54.650033Z","structure_string":"H4 C10 S3 O1\n1.0\n3.760218 0.001409 -0.089976\n-0.363716 5.972320 -1.747573\n-0.023940 -0.110167 9.955042\nH C S O\n4 10 3 1\ndirect\n0.686765 0.950367 0.090849 H\n0.685328 0.103801 0.914534 H\n0.768030 0.229275 0.343270 H\n0.763991 0.816757 0.665465 H\n0.352480 0.514434 0.918081 C\n0.357526 0.498583 0.067414 C\n0.465597 0.330742 0.808478 C\n0.556224 0.065253 0.573099 C\n0.475923 0.694691 0.182936 C\n0.561682 0.958437 0.424080 C\n0.654855 0.980471 0.682528 C\n0.612136 0.132462 0.815285 C\n0.617425 0.906259 0.184742 C\n0.661701 0.056111 0.320499 C\n0.409937 0.679987 0.352602 S\n0.401620 0.332316 0.634352 S\n0.153971 0.726287 0.885370 S\n0.232734 0.323083 0.088802 O\n","nsites":18,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7611859619295922,"density_atomic":0.08078002083031535,"volume":222.82737507347744,"volume_molar":7.454987877076647,"formula_full":"H4 C10 S3 O1","formula_reduced":"H4C10S3O","formula_anonymous":"AB3C4D10","energy_above_hull":5.500141305555555,"spacegroup":1},{"id":"jvasp-24778","created_at":"2022-09-04T14:38:09.141686Z","updated_at":"2022-09-04T14:38:09.141709Z","structure_string":"U2 Re2 B6\n1.0\n2.542200 -4.403219 0.000000\n2.542200 4.403219 -0.000000\n-0.000000 0.000000 5.128501\nU Re B\n2 2 6\ndirect\n0.666667 0.333333 0.250000 U\n0.333333 0.666667 0.750000 U\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.558846 0.779424 0.250000 B\n0.779424 0.220576 0.750000 B\n0.779424 0.558846 0.750000 B\n0.220576 0.441154 0.250000 B\n0.441154 0.220576 0.750000 B\n0.220576 0.779424 0.250000 B\n","nsites":10,"nelements":3,"elements":["U","Re","B"],"chemical_system":"B-Re-U","density":13.209308958070894,"density_atomic":0.08709627059495036,"volume":114.81547868456927,"volume_molar":6.914349740652558,"formula_full":"U2 Re2 B6","formula_reduced":"UReB3","formula_anonymous":"ABC3","energy_above_hull":5.50016435,"spacegroup":194},{"id":"jvasp-39478","created_at":"2022-09-04T14:37:48.763814Z","updated_at":"2022-09-04T14:37:48.763841Z","structure_string":"Re3 Ge1\n1.0\n-1.898765 1.898765 4.171756\n1.898765 -1.898765 4.171756\n1.898765 1.898765 -4.171756\nRe Ge\n3 1\ndirect\n0.750004 0.250000 0.500003 Re\n0.250000 0.750004 0.500003 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":2,"elements":["Re","Ge"],"chemical_system":"Ge-Re","density":17.423553384815158,"density_atomic":0.06648729514986156,"volume":60.161869887834186,"volume_molar":9.057581221233571,"formula_full":"Re3 Ge1","formula_reduced":"Re3Ge","formula_anonymous":"AB3","energy_above_hull":5.501164987499999,"spacegroup":139},{"id":"jvasp-112067","created_at":"2022-09-04T14:38:43.231954Z","updated_at":"2022-09-04T14:38:43.231969Z","structure_string":"H4 C10 S3 O1\n1.0\n3.699276 0.311070 0.000472\n1.149677 6.081614 0.003662\n-0.002259 -0.002155 10.002498\nH C S O\n4 10 3 1\ndirect\n0.121813 0.139887 0.181832 H\n-0.048757 0.164882 0.684379 H\n-0.050951 0.165179 0.435068 H\n0.124167 0.139547 0.937624 H\n0.829040 0.626130 0.559726 C\n0.180602 0.586815 0.059752 C\n0.938078 0.521591 0.689151 C\n0.106514 0.497879 0.189688 C\n0.106706 0.497864 0.929818 C\n0.938000 0.521572 0.430339 C\n-0.008628 0.305927 0.741482 C\n0.076153 0.293472 0.240202 C\n0.077480 0.293286 0.879282 C\n-0.009852 0.306071 0.377997 C\n0.011199 0.705317 0.309488 S\n0.010288 0.705469 0.810026 S\n0.599265 0.898884 0.559644 S\n0.270700 0.768578 0.059732 O\n","nsites":18,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7721023835676637,"density_atomic":0.08128072250883076,"volume":221.45472437261353,"volume_molar":7.409064011882673,"formula_full":"H4 C10 S3 O1","formula_reduced":"H4C10S3O","formula_anonymous":"AB3C4D10","energy_above_hull":5.501314083333333,"spacegroup":6},{"id":"jvasp-112073","created_at":"2022-09-04T14:38:43.409034Z","updated_at":"2022-09-04T14:38:43.409051Z","structure_string":"H5 C8 S1 N1 O1\n1.0\n4.259888 -0.019871 0.251570\n1.458754 5.433413 0.863794\n-0.155274 0.040506 7.559378\nH C S N O\n5 8 1 1 1\ndirect\n0.728304 0.059924 0.578035 H\n0.202150 0.426454 0.954413 H\n0.191958 0.919745 0.310747 H\n0.241813 0.805838 0.643439 H\n0.636796 0.165184 0.247395 H\n0.327397 0.667230 0.555317 C\n0.298880 0.730514 0.370711 C\n0.499586 0.428169 0.628302 C\n0.422102 0.551879 0.259058 C\n0.630017 0.395087 0.811475 C\n0.485957 0.618976 0.067358 C\n0.603636 0.245829 0.518465 C\n0.552809 0.304917 0.334757 C\n0.666808 0.841379 0.000781 S\n0.418688 0.476943 0.948467 N\n0.924047 0.309246 0.840390 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.5461765651102315,"density_atomic":0.09128919920414816,"volume":175.2671744246494,"volume_molar":6.596772468704442,"formula_full":"H5 C8 S1 N1 O1","formula_reduced":"H5C8SNO","formula_anonymous":"ABCD5E8","energy_above_hull":5.502680421875,"spacegroup":1},{"id":"jvasp-112018","created_at":"2022-09-04T14:38:42.783750Z","updated_at":"2022-09-04T14:38:42.783770Z","structure_string":"H10 C16 S2 N2 O2\n1.0\n3.611943 -0.008078 0.133957\n1.006654 8.722844 2.979385\n-0.013755 -0.135482 10.213688\nH C S N O\n10 16 2 2 2\ndirect\n0.217100 0.664234 0.812363 H\n0.243237 0.006173 0.153382 H\n0.676245 0.771200 0.637707 H\n0.676243 0.271200 0.137706 H\n0.693537 0.612387 0.479512 H\n0.243238 0.506173 0.653382 H\n0.593329 0.183383 0.491697 H\n0.593328 0.683383 0.991698 H\n0.217099 0.164234 0.312363 H\n0.693536 0.112388 0.979512 H\n0.477473 0.800424 0.305595 C\n0.333608 0.955499 0.259924 C\n0.333610 0.455500 0.759923 C\n0.317017 0.042763 0.348052 C\n0.317017 0.542763 0.848052 C\n0.454444 0.084504 0.683832 C\n0.454442 0.584504 0.183833 C\n0.477474 0.300425 0.805595 C\n0.580188 0.732113 0.444154 C\n0.452902 0.477507 0.983184 C\n0.580188 0.232114 0.944154 C\n0.569857 0.820779 0.533175 C\n0.569855 0.320779 0.033175 C\n0.572851 0.234234 0.692179 C\n0.572849 0.734234 0.192180 C\n0.452902 0.977507 0.483184 C\n0.264304 0.460461 0.314187 S\n0.264304 0.960461 0.814187 S\n0.505956 0.582427 0.053177 N\n0.505958 0.082427 0.553177 N\n0.741902 0.811817 0.092100 O\n0.741903 0.311817 0.592100 O\n","nsites":32,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6762384484137305,"density_atomic":0.09896829966504107,"volume":323.33585712095925,"volume_molar":6.084918888555203,"formula_full":"H10 C16 S2 N2 O2","formula_reduced":"H5C8SNO","formula_anonymous":"ABCD5E8","energy_above_hull":5.502782296874999,"spacegroup":1},{"id":"jvasp-7647","created_at":"2022-09-04T14:36:37.415525Z","updated_at":"2022-09-04T14:36:37.415551Z","structure_string":"Nb3 B4\n1.0\n3.090950 -0.024066 -0.638635\n-0.121812 3.260433 -0.711836\n-0.071911 -0.085202 7.454590\nNb B\n3 4\ndirect\n0.185298 0.185301 0.370618 Nb\n0.814703 0.814698 0.629381 Nb\n0.500000 -0.000001 -0.000000 Nb\n0.935837 0.435840 0.871667 B\n0.064164 0.564159 0.128332 B\n0.368475 0.368473 0.736957 B\n0.631526 0.631526 0.263042 B\n","nsites":7,"nelements":2,"elements":["Nb","B"],"chemical_system":"B-Nb","density":7.151390756432554,"density_atomic":0.09363393972961581,"volume":74.75921679909774,"volume_molar":6.431578952450333,"formula_full":"Nb3 B4","formula_reduced":"Nb3B4","formula_anonymous":"A3B4","energy_above_hull":5.502834076190476,"spacegroup":71},{"id":"jvasp-103850","created_at":"2022-09-04T14:37:00.321586Z","updated_at":"2022-09-04T14:37:00.321617Z","structure_string":"H10 C16 S2 N2 O2\n1.0\n3.731971 -0.083535 0.482342\n0.988187 8.655428 2.651449\n0.057139 -0.157274 10.409020\nH C S N O\n10 16 2 2 2\ndirect\n0.103126 0.356060 0.152757 H\n0.537952 0.995534 0.828921 H\n0.142489 0.227123 0.374841 H\n0.642489 0.727122 0.874841 H\n0.046928 0.372849 0.548880 H\n0.037951 0.495534 0.328921 H\n0.864648 0.825274 0.472913 H\n0.364649 0.325274 0.972913 H\n0.603126 0.856060 0.652757 H\n0.546928 0.872849 0.048880 H\n0.799257 0.191524 0.702752 C\n0.671671 0.045034 0.729769 C\n0.171671 0.545033 0.229769 C\n0.704578 0.968558 0.631754 C\n0.204578 0.468558 0.131754 C\n0.206882 0.920055 0.316105 C\n0.706882 0.420054 0.816105 C\n0.299256 0.691524 0.202752 C\n0.945883 0.260627 0.570768 C\n0.387770 0.531211 0.004285 C\n0.445884 0.760627 0.070767 C\n0.999433 0.179732 0.472708 C\n0.499434 0.679732 0.972708 C\n0.305391 0.751592 0.317960 C\n0.805393 0.251591 0.817960 C\n0.887771 0.031211 0.504285 C\n0.925231 0.137559 0.962632 S\n0.425230 0.637559 0.462633 S\n0.458006 0.429241 0.924176 N\n0.958006 0.929240 0.424176 N\n0.848922 0.528120 0.734566 O\n0.348920 0.028119 0.234567 O\n","nsites":32,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.6020005915794957,"density_atomic":0.09458515568656127,"volume":338.3194727303978,"volume_molar":6.366898395723242,"formula_full":"H10 C16 S2 N2 O2","formula_reduced":"H5C8SNO","formula_anonymous":"ABCD5E8","energy_above_hull":5.503247296874999,"spacegroup":1},{"id":"jvasp-64939","created_at":"2022-09-04T14:35:51.260580Z","updated_at":"2022-09-04T14:35:51.260598Z","structure_string":"Be1 Tl1 Re4\n1.0\n-0.000000 3.709080 3.709080\n3.709080 -0.000000 3.709080\n3.709080 3.709080 0.000000\nBe Tl Re\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Tl\n0.374428 0.374428 0.374428 Re\n0.374428 0.876716 0.374428 Re\n0.374428 0.374428 0.876716 Re\n0.876716 0.374428 0.374428 Re\n","nsites":6,"nelements":3,"elements":["Be","Tl","Re"],"chemical_system":"Be-Re-Tl","density":15.59147883090253,"density_atomic":0.058792598160542504,"volume":102.05366300730662,"volume_molar":10.24302539506009,"formula_full":"Be1 Tl1 Re4","formula_reduced":"BeTlRe4","formula_anonymous":"ABC4","energy_above_hull":5.50461345,"spacegroup":216}]}