{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4588","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=4586","results":[{"id":"jvasp-121027","created_at":"2022-09-04T14:38:54.004912Z","updated_at":"2022-09-04T14:38:54.004948Z","structure_string":"S1 O1 F1\n1.0\n3.683171 -0.000000 -0.000000\n-1.841585 3.189719 0.000000\n0.000000 -0.000000 2.782873\nS O F\n1 1 1\ndirect\n0.666665 0.333333 0.000000 S\n0.333331 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n","nsites":3,"nelements":3,"elements":["S","O","F"],"chemical_system":"F-O-S","density":3.4061447904349516,"density_atomic":0.0917600327092885,"volume":32.69397265260916,"volume_molar":6.562923510586765,"formula_full":"S1 O1 F1","formula_reduced":"SOF","formula_anonymous":"ABC","energy_above_hull":1.2758645941666669,"spacegroup":187},{"id":"jvasp-121289","created_at":"2022-09-04T14:38:54.009014Z","updated_at":"2022-09-04T14:38:54.009042Z","structure_string":"As3 H1\n1.0\n5.862707 0.485831 0.977321\n-2.601119 -5.259432 -0.279103\n-1.017492 1.980304 -3.168968\nAs H\n3 1\ndirect\n0.906320 0.005204 0.059338 As\n0.975575 0.466869 0.075381 As\n0.574596 0.110500 0.191650 As\n0.203103 0.244863 0.582829 H\n","nsites":4,"nelements":2,"elements":["As","H"],"chemical_system":"As-H","density":4.318030564057986,"density_atomic":0.046070730898204536,"volume":86.82302021294582,"volume_molar":13.071511223267123,"formula_full":"As3 H1","formula_reduced":"As3H","formula_anonymous":"AB3","energy_above_hull":2.4177638125,"spacegroup":1},{"id":"jvasp-117994","created_at":"2022-09-04T14:38:54.009875Z","updated_at":"2022-09-04T14:38:54.009891Z","structure_string":"Ca1 V1 O1\n1.0\n2.961543 0.000000 0.000000\n0.000000 2.961543 -0.000000\n-0.000000 0.000000 6.916182\nCa V O\n1 1 1\ndirect\n0.000000 0.000000 0.298992 Ca\n0.000000 0.000000 0.750009 V\n0.000000 0.000000 -0.008786 O\n","nsites":3,"nelements":3,"elements":["Ca","V","O"],"chemical_system":"Ca-O-V","density":2.9295915983471494,"density_atomic":0.04945597361024107,"volume":60.66001295703491,"volume_molar":12.1767712176896,"formula_full":"Ca1 V1 O1","formula_reduced":"CaVO","formula_anonymous":"ABC","energy_above_hull":1.7125093733333336,"spacegroup":99},{"id":"jvasp-122454","created_at":"2022-09-04T14:38:54.014248Z","updated_at":"2022-09-04T14:38:54.014283Z","structure_string":"Zr2 Ti2 O8\n1.0\n4.753526 -0.000000 0.000000\n0.000000 5.123528 0.000000\n-0.000000 -0.000000 5.683864\nZr Ti O\n2 2 8\ndirect\n-0.000000 0.500000 0.422212 Zr\n0.500000 0.000000 0.577788 Zr\n0.000000 0.000000 0.070153 Ti\n0.500000 0.500000 0.929846 Ti\n0.738077 0.176930 0.874751 O\n0.761924 0.676930 0.125248 O\n0.238077 0.323070 0.125248 O\n0.261923 0.823070 0.874751 O\n0.282044 0.339338 0.648875 O\n0.217956 0.839338 0.351125 O\n0.782045 0.160662 0.351125 O\n0.717957 0.660663 0.648875 O\n","nsites":12,"nelements":3,"elements":["Zr","Ti","O"],"chemical_system":"O-Ti-Zr","density":4.872321903170548,"density_atomic":0.08668672196981228,"volume":138.42950485748983,"volume_molar":6.947016363240896,"formula_full":"Zr2 Ti2 O8","formula_reduced":"ZrTiO4","formula_anonymous":"ABC4","energy_above_hull":2.714474472222223,"spacegroup":18},{"id":"jvasp-118011","created_at":"2022-09-04T14:38:54.021070Z","updated_at":"2022-09-04T14:38:54.021099Z","structure_string":"Cd1 O3\n1.0\n3.148097 0.099649 0.195998\n0.098273 -3.181126 0.019593\n0.550766 2.750221 -5.564221\nCd O\n1 3\ndirect\n0.005732 0.042292 0.015137 Cd\n0.511176 0.536581 0.011932 O\n0.091167 0.356459 0.594542 O\n0.272544 0.453217 0.437454 O\n","nsites":4,"nelements":2,"elements":["Cd","O"],"chemical_system":"Cd-O","density":4.75609331274595,"density_atomic":0.07142199676065669,"volume":56.00515501414024,"volume_molar":8.431773169519309,"formula_full":"Cd1 O3","formula_reduced":"CdO3","formula_anonymous":"AB3","energy_above_hull":1.4589571875000005,"spacegroup":1},{"id":"jvasp-123559","created_at":"2022-09-04T14:38:54.026273Z","updated_at":"2022-09-04T14:38:54.026299Z","structure_string":"P3 C1\n1.0\n2.933843 0.000000 -0.939453\n0.116685 4.892153 0.364399\n-0.056471 0.336019 4.874456\nP C\n3 1\ndirect\n0.581895 0.065853 0.163790 P\n0.096940 0.362514 0.193878 P\n0.881951 0.705185 0.763902 P\n0.439217 0.866447 0.878434 C\n","nsites":4,"nelements":2,"elements":["P","C"],"chemical_system":"C-P","density":2.5141017113396518,"density_atomic":0.05771462057670928,"volume":69.30652857162157,"volume_molar":10.43434176613167,"formula_full":"P3 C1","formula_reduced":"P3C","formula_anonymous":"AB3","energy_above_hull":3.848249125,"spacegroup":8},{"id":"jvasp-121353","created_at":"2022-09-04T14:38:54.026311Z","updated_at":"2022-09-04T14:38:54.026334Z","structure_string":"Cr8 Se6 N4\n1.0\n6.431853 -0.000000 0.000000\n0.000000 13.072720 0.000000\n-0.000000 -0.000000 3.353242\nCr Se N\n8 6 4\ndirect\n0.687284 0.938249 0.500000 Cr\n0.312715 0.061751 0.500000 Cr\n0.187285 0.561751 -0.000000 Cr\n0.812715 0.438249 -0.000000 Cr\n0.803779 0.642750 0.500000 Cr\n0.196221 0.357250 0.500000 Cr\n0.303779 0.857250 -0.000000 Cr\n0.696221 0.142750 -0.000000 Cr\n0.665512 0.782704 -0.000000 Se\n0.334487 0.217296 -0.000000 Se\n0.165512 0.717296 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.834487 0.282704 0.500000 Se\n0.114308 0.420911 -0.000000 N\n0.614308 0.079089 0.500000 N\n0.385692 0.920911 0.500000 N\n0.885691 0.579089 -0.000000 N\n","nsites":18,"nelements":3,"elements":["Cr","Se","N"],"chemical_system":"Cr-N-Se","density":5.570075123100397,"density_atomic":0.06384186105164852,"volume":281.9466679619172,"volume_molar":9.432902895998042,"formula_full":"Cr8 Se6 N4","formula_reduced":"Cr4Se3N2","formula_anonymous":"A2B3C4","energy_above_hull":4.387412911111111,"spacegroup":58},{"id":"jvasp-120863","created_at":"2022-09-04T14:38:54.026972Z","updated_at":"2022-09-04T14:38:54.027002Z","structure_string":"Ba1 Hf1 Se1\n1.0\n3.472636 -0.000000 0.000000\n-0.000000 3.472636 0.000000\n-0.000000 0.000000 8.809514\nBa Hf Se\n1 1 1\ndirect\n0.000000 0.000000 0.342940 Ba\n0.000000 0.000000 0.726013 Hf\n0.000000 0.000000 -0.002541 Se\n","nsites":3,"nelements":3,"elements":["Ba","Hf","Se"],"chemical_system":"Ba-Hf-Se","density":6.170643600561412,"density_atomic":0.02823909525267372,"volume":106.23569817506655,"volume_molar":21.325544271570863,"formula_full":"Ba1 Hf1 Se1","formula_reduced":"BaHfSe","formula_anonymous":"ABC","energy_above_hull":2.0770874455555552,"spacegroup":99},{"id":"jvasp-120831","created_at":"2022-09-04T14:38:54.027721Z","updated_at":"2022-09-04T14:38:54.027754Z","structure_string":"B1 H1 N1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nB H N\n1 1 1\ndirect\n-0.001139 -0.047148 0.000000 B\n0.166020 -0.000405 0.000000 H\n-0.000411 0.212022 0.000000 N\n","nsites":3,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.21463043768308984,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"B1 H1 N1","formula_reduced":"BHN","formula_anonymous":"ABC","energy_above_hull":4.438391944444444,"spacegroup":6},{"id":"jvasp-121320","created_at":"2022-09-04T14:38:54.028518Z","updated_at":"2022-09-04T14:38:54.028553Z","structure_string":"Ta8 Al2 N6\n1.0\n2.970149 -0.000000 0.000000\n-1.485075 2.572225 0.000000\n-0.000000 -0.000000 25.873219\nTa Al N\n8 2 6\ndirect\n0.333334 0.666665 0.445018 Ta\n0.666667 0.333333 0.554982 Ta\n0.666667 0.333333 0.945018 Ta\n0.333334 0.666665 0.054982 Ta\n0.333334 0.666665 0.836516 Ta\n0.666667 0.333333 0.163484 Ta\n0.666667 0.333333 0.336516 Ta\n0.333334 0.666665 0.663484 Ta\n0.333334 0.666665 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.391583 N\n0.000000 0.000000 0.608417 N\n0.000000 0.000000 0.891583 N\n0.000000 0.000000 0.108417 N\n","nsites":16,"nelements":3,"elements":["Ta","Al","N"],"chemical_system":"Al-N-Ta","density":13.319911239348501,"density_atomic":0.08094356471333264,"volume":197.66858621392734,"volume_molar":7.439925312565412,"formula_full":"Ta8 Al2 N6","formula_reduced":"Ta4AlN3","formula_anonymous":"AB3C4","energy_above_hull":6.28676616875,"spacegroup":194},{"id":"jvasp-121127","created_at":"2022-09-04T14:38:54.031050Z","updated_at":"2022-09-04T14:38:54.031088Z","structure_string":"I2 F1\n1.0\n3.673507 0.000000 0.000000\n0.000000 3.665856 0.000000\n0.000000 0.000000 7.429417\nI F\n2 1\ndirect\n-0.200611 0.000000 0.685558 I\n-0.200611 0.000000 0.314442 I\n0.801222 0.000000 0.000000 F\n","nsites":3,"nelements":2,"elements":["I","F"],"chemical_system":"F-I","density":4.527872044141897,"density_atomic":0.029985427609099446,"volume":100.04859824275486,"volume_molar":20.083558048618613,"formula_full":"I2 F1","formula_reduced":"I2F","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-111737","created_at":"2022-09-04T14:38:54.032005Z","updated_at":"2022-09-04T14:38:54.032032Z","structure_string":"Na3 Eu2 Ge2 Se6\n1.0\n7.254895 0.039341 1.153411\n-3.854690 6.146254 1.153411\n0.090785 0.165155 7.630795\nNa Eu Ge Se\n3 2 2 6\ndirect\n0.666072 0.333928 -0.000000 Na\n0.333928 0.666071 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.833382 0.166618 0.500000 Eu\n0.166618 0.833382 0.500000 Eu\n0.559140 0.559139 0.320729 Ge\n0.440860 0.440861 0.679271 Ge\n0.219144 0.219144 0.253420 Se\n0.780856 0.780856 0.746580 Se\n0.582653 0.940722 0.261584 Se\n0.417347 0.059278 0.738416 Se\n0.059277 0.417347 0.738416 Se\n0.940723 0.582653 0.261584 Se\n","nsites":13,"nelements":4,"elements":["Na","Eu","Ge","Se"],"chemical_system":"Eu-Ge-Na-Se","density":4.863703011169314,"density_atomic":0.03838637291362678,"volume":338.661848287967,"volume_molar":15.688225541783869,"formula_full":"Na3 Eu2 Ge2 Se6","formula_reduced":"Na3Eu2(GeSe3)2","formula_anonymous":"A2B2C3D6","energy_above_hull":0.9361160846153844,"spacegroup":12}]}