{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=30","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=28","results":[{"id":"jvasp-30980","created_at":"2022-09-04T14:38:32.690254Z","updated_at":"2022-09-04T14:38:32.690279Z","structure_string":"B12 H20 N2\n1.0\n6.611131 -0.000000 3.816938\n2.203710 6.233034 3.816938\n-0.000000 -0.000000 7.633876\nB H N\n12 20 2\ndirect\n0.215732 0.784268 0.948244 B\n0.215732 0.948242 0.051758 B\n0.051757 0.215732 0.948244 B\n0.948243 0.051757 0.215732 B\n0.784268 0.215732 0.051757 B\n0.948243 0.784268 0.051758 B\n0.784268 0.948242 0.215733 B\n0.051757 0.948242 0.784269 B\n0.215732 0.051757 0.784269 B\n0.051757 0.784268 0.215732 B\n0.784268 0.051757 0.948244 B\n0.948243 0.215732 0.784269 B\n0.909503 0.368649 0.631352 H\n0.194632 0.194632 0.194632 H\n0.416103 0.194632 0.194632 H\n0.194632 0.416102 0.194632 H\n0.909503 0.090497 0.368649 H\n0.805368 0.805367 0.805369 H\n0.631351 0.090497 0.909504 H\n0.583897 0.805367 0.805369 H\n0.194632 0.194632 0.416103 H\n0.090497 0.631351 0.368649 H\n0.805368 0.805367 0.583898 H\n0.368649 0.090497 0.631352 H\n0.090497 0.909502 0.631352 H\n0.631351 0.909502 0.368650 H\n0.909503 0.631351 0.090498 H\n0.631351 0.368649 0.090498 H\n0.805368 0.583897 0.805369 H\n0.090497 0.368649 0.909504 H\n0.368649 0.909502 0.090498 H\n0.368649 0.631351 0.909504 H\n0.750000 0.750000 0.750001 N\n0.250000 0.250000 0.250000 N\n","nsites":34,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.939106699159531,"density_atomic":0.10808329028790228,"volume":314.5722147191665,"volume_molar":5.571759283011072,"formula_full":"B12 H20 N2","formula_reduced":"B6H10N","formula_anonymous":"AB6C10","energy_above_hull":4.240876397058823,"spacegroup":202},{"id":"jvasp-90587","created_at":"2022-09-04T14:36:07.282468Z","updated_at":"2022-09-04T14:36:07.282499Z","structure_string":"Li6 Mg2\n1.0\n3.362428 0.000000 0.000000\n0.000000 9.698100 0.000000\n0.000000 0.000000 4.880480\nLi Mg\n6 2\ndirect\n0.500000 0.000000 0.916823 Li\n0.000000 0.241741 0.916523 Li\n0.500000 0.258259 0.416524 Li\n0.000000 0.500000 0.416823 Li\n0.500000 0.741740 0.416524 Li\n0.000000 0.758259 0.916523 Li\n0.000000 0.000000 0.416795 Mg\n0.500000 0.500000 0.916795 Mg\n","nsites":8,"nelements":2,"elements":["Li","Mg"],"chemical_system":"Li-Mg","density":0.9417225956602369,"density_atomic":0.05026755920845907,"volume":159.14836777381768,"volume_molar":11.980173405727225,"formula_full":"Li6 Mg2","formula_reduced":"Li3Mg","formula_anonymous":"AB3","energy_above_hull":0.5173414285714286,"spacegroup":71},{"id":"jvasp-79224","created_at":"2022-09-04T14:37:13.918912Z","updated_at":"2022-09-04T14:37:13.918938Z","structure_string":"Nb2 Cu1 Re1\n1.0\n-8.461603 -0.000000 -4.885308\n-8.801719 0.041968 5.474407\n-5.774225 8.605016 0.230634\nNb Cu Re\n2 1 1\ndirect\n0.732744 -0.000000 0.000000 Nb\n0.267256 -0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Re\n","nsites":4,"nelements":3,"elements":["Nb","Cu","Re"],"chemical_system":"Cu-Nb-Re","density":0.9425655985100435,"density_atomic":0.005212772199286486,"volume":767.346019944534,"volume_molar":115.52664359329378,"formula_full":"Nb2 Cu1 Re1","formula_reduced":"Nb2CuRe","formula_anonymous":"ABC2","energy_above_hull":5.3831868125,"spacegroup":71},{"id":"jvasp-114382","created_at":"2022-09-04T14:38:40.442907Z","updated_at":"2022-09-04T14:38:40.442917Z","structure_string":"Zn1 S1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZn S O\n1 1 1\ndirect\n-0.021434 0.306354 0.000000 Zn\n0.272999 -0.024042 0.000000 S\n-0.061006 -0.069080 0.000000 O\n","nsites":3,"nelements":3,"elements":["Zn","S","O"],"chemical_system":"O-S-Zn","density":0.9430490592832674,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Zn1 S1 O1","formula_reduced":"ZnSO","formula_anonymous":"ABC","energy_above_hull":1.2448713000000002,"spacegroup":6},{"id":"jvasp-115426","created_at":"2022-09-04T14:38:46.948192Z","updated_at":"2022-09-04T14:38:46.948221Z","structure_string":"Na1 As1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nNa As O\n1 1 1\ndirect\n0.352563 0.000186 0.000000 Na\n-0.002335 -0.056215 0.000000 As\n0.000679 0.268190 0.000000 O\n","nsites":3,"nelements":3,"elements":["Na","As","O"],"chemical_system":"As-Na-O","density":0.9466839260279266,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Na1 As1 O1","formula_reduced":"NaAsO","formula_anonymous":"ABC","energy_above_hull":1.37766475,"spacegroup":6},{"id":"jvasp-110807","created_at":"2022-09-04T14:38:47.854578Z","updated_at":"2022-09-04T14:38:47.854606Z","structure_string":"K3 Li1\n1.0\n5.409608 -0.826311 -4.044963\n-1.855096 5.148327 -4.044963\n0.679575 0.826311 6.720399\nK Li\n3 1\ndirect\n0.750000 0.250000 0.500001 K\n0.250000 0.750000 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":2,"elements":["K","Li"],"chemical_system":"K-Li","density":0.9481968319018983,"density_atomic":0.01838494281241607,"volume":217.56934687328175,"volume_molar":32.75583079830422,"formula_full":"K3 Li1","formula_reduced":"K3Li","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-78544","created_at":"2022-09-04T14:37:15.900599Z","updated_at":"2022-09-04T14:37:15.900627Z","structure_string":"Na1\n1.0\n3.419244 -0.000000 0.000000\n0.000000 3.419244 0.000000\n-0.000000 0.000000 3.419244\nNa\n1\ndirect\n0.499999 0.499999 0.499999 Na\n","nsites":1,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":0.9549781384902157,"density_atomic":0.025015530624317255,"volume":39.97516642832728,"volume_molar":24.073607913581334,"formula_full":"Na1","formula_reduced":"Na","formula_anonymous":"A","energy_above_hull":0.1467299999999999,"spacegroup":221},{"id":"jvasp-86723","created_at":"2022-09-04T14:35:51.293432Z","updated_at":"2022-09-04T14:35:51.293448Z","structure_string":"Li4 B4 H8\n1.0\n3.064814 -0.000000 0.000000\n0.000000 5.347049 0.000000\n0.000000 0.000000 8.340582\nLi B H\n4 4 8\ndirect\n0.749999 0.837331 0.772277 Li\n0.749999 0.662669 0.272277 Li\n0.250000 0.337331 0.727723 Li\n0.250000 0.162669 0.227723 Li\n0.250000 0.417664 0.454574 B\n0.250000 0.082336 0.954574 B\n0.749999 0.917664 0.045426 B\n0.749999 0.582336 0.545426 B\n0.749999 0.433215 0.414149 H\n0.749999 0.703960 0.990928 H\n0.250000 0.296040 0.009071 H\n0.250000 0.203960 0.509071 H\n0.250000 0.566785 0.585850 H\n0.749999 0.796041 0.490929 H\n0.250000 0.933215 0.085851 H\n0.749999 0.066785 0.914149 H\n","nsites":16,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":0.9606264526447305,"density_atomic":0.11705914276301198,"volume":136.68304433419817,"volume_molar":5.144528328036636,"formula_full":"Li4 B4 H8","formula_reduced":"LiBH2","formula_anonymous":"ABC2","energy_above_hull":2.619360645833334,"spacegroup":62},{"id":"jvasp-86121","created_at":"2022-09-04T14:36:01.421542Z","updated_at":"2022-09-04T14:36:01.421577Z","structure_string":"Li4 B4 H8\n1.0\n3.064748 0.000000 0.000000\n-0.000000 5.349471 0.000000\n0.000000 0.000000 8.334706\nLi B H\n4 4 8\ndirect\n0.750001 0.838558 0.771730 Li\n0.750001 0.661442 0.271730 Li\n0.250000 0.338558 0.728270 Li\n0.250000 0.161442 0.228270 Li\n0.250000 0.417489 0.454707 B\n0.250000 0.082511 0.954707 B\n0.750001 0.917488 0.045293 B\n0.750001 0.582511 0.545293 B\n0.750001 0.432897 0.414203 H\n0.750001 0.704127 0.990350 H\n0.250000 0.295873 0.009651 H\n0.250000 0.204127 0.509651 H\n0.250000 0.567103 0.585797 H\n0.750001 0.795873 0.490349 H\n0.250000 0.932897 0.085797 H\n0.750001 0.067103 0.914204 H\n","nsites":16,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":0.9608891554178235,"density_atomic":0.11709115495811141,"volume":136.64567580466598,"volume_molar":5.143121837131406,"formula_full":"Li4 B4 H8","formula_reduced":"LiBH2","formula_anonymous":"ABC2","energy_above_hull":2.619360645833334,"spacegroup":62},{"id":"jvasp-113694","created_at":"2022-09-04T14:38:46.376280Z","updated_at":"2022-09-04T14:38:46.376301Z","structure_string":"Sc1 Al1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSc Al O\n1 1 1\ndirect\n0.000000 0.000000 0.730038 Sc\n0.000000 0.000000 0.235957 Al\n0.000000 0.000000 0.031099 O\n","nsites":3,"nelements":3,"elements":["Sc","Al","O"],"chemical_system":"Al-O-Sc","density":0.9623134442865305,"density_atomic":0.019770506832558536,"volume":151.74117818059824,"volume_molar":30.460224469726775,"formula_full":"Sc1 Al1 O1","formula_reduced":"ScAlO","formula_anonymous":"ABC","energy_above_hull":1.9974771833333331,"spacegroup":99},{"id":"jvasp-123927","created_at":"2022-09-04T14:38:55.297671Z","updated_at":"2022-09-04T14:38:55.297699Z","structure_string":"He1 Mg1\n1.0\n1.518281 -2.629743 0.000000\n1.518281 2.629743 -0.000000\n0.000000 0.000000 6.108953\nHe Mg\n1 1\ndirect\n0.666666 0.333333 0.750000 He\n0.333333 0.666666 0.250000 Mg\n","nsites":2,"nelements":2,"elements":["He","Mg"],"chemical_system":"He-Mg","density":0.9635847849219549,"density_atomic":0.040998479567429816,"volume":48.782296833974506,"volume_molar":14.688692906514841,"formula_full":"He1 Mg1","formula_reduced":"HeMg","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":187},{"id":"jvasp-85669","created_at":"2022-09-04T14:36:00.608219Z","updated_at":"2022-09-04T14:36:00.608254Z","structure_string":"H12 N4\n1.0\n3.437565 0.000000 0.000000\n0.000000 5.912974 0.000000\n0.000000 0.000000 5.733466\nH N\n12 4\ndirect\n0.624866 0.707132 0.269881 H\n0.875131 0.292867 0.769882 H\n0.124867 0.792867 0.730119 H\n0.375132 0.207132 0.230119 H\n0.018620 0.844501 0.185602 H\n0.481379 0.155498 0.685602 H\n0.518619 0.655498 0.814399 H\n0.981379 0.344502 0.314398 H\n0.771196 0.935490 0.412238 H\n0.728801 0.064509 0.912239 H\n0.271197 0.564509 0.587762 H\n0.228802 0.435491 0.087762 H\n0.741177 0.866135 0.248173 N\n0.758821 0.133864 0.748173 N\n0.241177 0.633864 0.751828 N\n0.258822 0.366136 0.251827 N\n","nsites":16,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":0.970650466879758,"density_atomic":0.13729219641748258,"volume":116.53976276515148,"volume_molar":4.386367846929681,"formula_full":"H12 N4","formula_reduced":"H3N","formula_anonymous":"AB3","energy_above_hull":3.1409983125,"spacegroup":19}]}