{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4596","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4594","results":[{"id":"jvasp-119928","created_at":"2022-09-04T14:38:54.243619Z","updated_at":"2022-09-04T14:38:54.243648Z","structure_string":"Zn1 B1 Se1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nZn B Se\n1 1 1\ndirect\n-0.008847 0.276042 0.000000 Zn\n-0.054506 0.001080 0.000000 B\n0.286713 -0.010547 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Zn","B","Se"],"chemical_system":"B-Se-Zn","density":1.3417647281877556,"density_atomic":0.015621142021024966,"volume":192.04741855379137,"volume_molar":38.55121957085225,"formula_full":"Zn1 B1 Se1","formula_reduced":"ZnBSe","formula_anonymous":"ABC","energy_above_hull":1.8797787833333337,"spacegroup":6},{"id":"jvasp-122827","created_at":"2022-09-04T14:38:54.244489Z","updated_at":"2022-09-04T14:38:54.244515Z","structure_string":"Ba1 Sm3\n1.0\n1.860488 -3.222459 0.000000\n1.860488 3.222459 0.000000\n0.000000 -0.000000 12.233733\nBa Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.269388 Sm\n0.666668 0.333334 0.730612 Sm\n","nsites":4,"nelements":2,"elements":["Ba","Sm"],"chemical_system":"Ba-Sm","density":6.660758091060789,"density_atomic":0.027268215916220456,"volume":146.69093175328007,"volume_molar":22.084835980845153,"formula_full":"Ba1 Sm3","formula_reduced":"BaSm3","formula_anonymous":"AB3","energy_above_hull":1.10654814875,"spacegroup":164},{"id":"jvasp-121975","created_at":"2022-09-04T14:38:54.250046Z","updated_at":"2022-09-04T14:38:54.250072Z","structure_string":"Na2 Ca2 Si2 O8\n1.0\n7.133432 0.000000 0.000000\n-0.000000 4.770347 2.377515\n-0.000000 -0.024519 5.376199\nNa Ca Si O\n2 2 2 8\ndirect\n0.750000 0.683985 0.689640 Na\n0.250000 0.316016 0.310359 Na\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.624224 0.659454 Si\n0.750000 0.375776 0.340545 Si\n0.250000 0.288163 0.756034 O\n0.750000 0.711838 0.243965 O\n0.750000 0.195660 0.678169 O\n0.250000 0.804341 0.321830 O\n0.439706 0.709372 0.783819 O\n0.939706 0.290629 0.216180 O\n0.560293 0.290629 0.216180 O\n0.060293 0.709372 0.783819 O\n","nsites":14,"nelements":4,"elements":["Na","Ca","Si","O"],"chemical_system":"Ca-Na-O-Si","density":2.810110771419925,"density_atomic":0.07635160467192333,"volume":183.36222349427845,"volume_molar":7.887379428208028,"formula_full":"Na2 Ca2 Si2 O8","formula_reduced":"NaCaSiO4","formula_anonymous":"ABCD4","energy_above_hull":1.5200431457142858,"spacegroup":11},{"id":"jvasp-121989","created_at":"2022-09-04T14:38:54.250809Z","updated_at":"2022-09-04T14:38:54.250826Z","structure_string":"Co1 Mo4 O15\n1.0\n5.264158 -0.065159 1.196512\n0.045206 6.596842 0.107427\n-0.088819 0.058621 7.469793\nCo Mo O\n1 4 15\ndirect\n0.000000 0.000000 0.000000 Co\n0.550609 0.303089 0.813779 Mo\n0.449392 0.696910 0.186221 Mo\n0.880960 0.327663 0.384364 Mo\n0.119041 0.672336 0.615636 Mo\n0.048539 0.830452 0.803988 O\n0.951462 0.169548 0.196011 O\n0.665945 0.500847 0.308763 O\n0.334056 0.499152 0.691236 O\n0.164184 0.499429 0.351057 O\n0.835817 0.500570 0.648943 O\n0.500001 0.500000 -0.000000 O\n0.626047 0.190601 0.567130 O\n0.064041 0.141897 0.536045 O\n0.717968 0.848567 0.106654 O\n0.282033 0.151432 0.893345 O\n0.212223 0.833588 0.104214 O\n0.787778 0.166411 0.895786 O\n0.373954 0.809398 0.432869 O\n0.935960 0.858103 0.463954 O\n","nsites":20,"nelements":3,"elements":["Co","Mo","O"],"chemical_system":"Co-Mo-O","density":4.358484556005605,"density_atomic":0.07689472730688426,"volume":260.09585703036146,"volume_molar":7.831669310648361,"formula_full":"Co1 Mo4 O15","formula_reduced":"CoMo4O15","formula_anonymous":"AB4C15","energy_above_hull":3.92662685,"spacegroup":2},{"id":"jvasp-120404","created_at":"2022-09-04T14:38:54.252008Z","updated_at":"2022-09-04T14:38:54.252044Z","structure_string":"Sn1 Bi4 Te7\n1.0\n4.464369 0.000000 0.000000\n-2.232184 3.866258 0.000000\n0.000000 0.000000 24.458625\nSn Bi Te\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333334 0.161311 Bi\n0.333334 0.666667 0.838689 Bi\n0.666667 0.333334 0.416355 Bi\n0.333334 0.666667 0.583646 Bi\n0.000000 0.000000 0.500000 Te\n0.666667 0.333334 0.923094 Te\n0.333334 0.666667 0.076906 Te\n0.000000 0.000000 0.768360 Te\n0.000000 0.000000 0.231640 Te\n0.666667 0.333334 0.654333 Te\n0.333334 0.666667 0.345667 Te\n","nsites":12,"nelements":3,"elements":["Sn","Bi","Te"],"chemical_system":"Bi-Sn-Te","density":7.268227847623935,"density_atomic":0.028424857236516082,"volume":422.1657087017543,"volume_molar":21.18617768205934,"formula_full":"Sn1 Bi4 Te7","formula_reduced":"SnBi4Te7","formula_anonymous":"AB4C7","energy_above_hull":1.0365619388888891,"spacegroup":164},{"id":"jvasp-121149","created_at":"2022-09-04T14:38:54.254125Z","updated_at":"2022-09-04T14:38:54.254152Z","structure_string":"Na1 In1 S1\n1.0\n5.129162 -0.000000 -0.000000\n0.000000 5.129162 -0.000000\n-0.000000 -0.000000 7.894654\nNa In S\n1 1 1\ndirect\n0.000000 0.000000 0.686959 Na\n0.000000 0.000000 0.297832 In\n0.000000 0.000000 0.006452 S\n","nsites":3,"nelements":3,"elements":["Na","In","S"],"chemical_system":"In-Na-S","density":1.3581474769099715,"density_atomic":0.014444260812872005,"volume":207.69494810883987,"volume_molar":41.69227375507766,"formula_full":"Na1 In1 S1","formula_reduced":"NaInS","formula_anonymous":"ABC","energy_above_hull":0.1921963233333334,"spacegroup":99},{"id":"jvasp-120411","created_at":"2022-09-04T14:38:54.254287Z","updated_at":"2022-09-04T14:38:54.254315Z","structure_string":"Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n","nsites":17,"nelements":4,"elements":["Ti","Pb","O","F"],"chemical_system":"F-O-Pb-Ti","density":6.086869130702129,"density_atomic":0.0790942775996192,"volume":214.9333746501257,"volume_molar":7.613876683322781,"formula_full":"Ti4 Pb2 O9 F2","formula_reduced":"Ti4Pb2O9F2","formula_anonymous":"A2B2C4D9","energy_above_hull":2.569925119901961,"spacegroup":12},{"id":"jvasp-123411","created_at":"2022-09-04T14:38:54.254466Z","updated_at":"2022-09-04T14:38:54.254494Z","structure_string":"Zr1 Mo1\n1.0\n1.639230 -2.839227 0.000000\n1.639230 2.839227 0.000000\n0.000000 -0.000000 4.180062\nZr Mo\n1 1\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Mo\n","nsites":2,"nelements":2,"elements":["Zr","Mo"],"chemical_system":"Mo-Zr","density":7.987643742648293,"density_atomic":0.05140167444122216,"volume":38.90923830286893,"volume_molar":11.715845496213008,"formula_full":"Zr1 Mo1","formula_reduced":"ZrMo","formula_anonymous":"AB","energy_above_hull":3.6086452,"spacegroup":187},{"id":"jvasp-123614","created_at":"2022-09-04T14:38:54.254474Z","updated_at":"2022-09-04T14:38:54.254497Z","structure_string":"P3 S1\n1.0\n3.088364 -0.000000 -0.988933\n-0.013687 4.208212 -0.042742\n0.291374 -0.218491 6.226770\nP S\n3 1\ndirect\n0.639314 0.211960 0.278630 P\n0.093728 0.525437 0.187457 P\n0.901584 0.466983 0.803174 P\n0.365367 0.795620 0.730739 S\n","nsites":4,"nelements":2,"elements":["P","S"],"chemical_system":"P-S","density":2.5277349440277574,"density_atomic":0.04871694688860953,"volume":82.10695159419436,"volume_molar":12.36149049686862,"formula_full":"P3 S1","formula_reduced":"P3S","formula_anonymous":"AB3","energy_above_hull":2.720639125,"spacegroup":8},{"id":"jvasp-121991","created_at":"2022-09-04T14:38:54.257882Z","updated_at":"2022-09-04T14:38:54.257917Z","structure_string":"La10 Sn6\n1.0\n9.508665 -0.000000 0.000000\n-4.754332 8.234745 0.000000\n-0.000000 -0.000000 6.955023\nLa Sn\n10 6\ndirect\n0.666667 0.333334 -0.000000 La\n0.333334 0.666667 -0.000000 La\n0.333334 0.666667 0.500000 La\n0.666667 0.333334 0.500000 La\n0.753801 0.753801 0.750000 La\n0.246199 0.000000 0.750000 La\n0.000000 0.246200 0.750000 La\n0.246199 0.246200 0.250000 La\n0.753800 0.000000 0.250000 La\n0.000000 0.753801 0.250000 La\n0.391342 0.391342 0.750000 Sn\n0.608658 0.000000 0.750000 Sn\n0.000000 0.608658 0.750000 Sn\n0.608658 0.608658 0.250000 Sn\n0.391342 0.000000 0.250000 Sn\n0.000000 0.391342 0.250000 Sn\n","nsites":16,"nelements":2,"elements":["La","Sn"],"chemical_system":"La-Sn","density":6.4072537420808215,"density_atomic":0.029379994483020918,"volume":544.5882574704569,"volume_molar":20.497419642063832,"formula_full":"La10 Sn6","formula_reduced":"La5Sn3","formula_anonymous":"A3B5","energy_above_hull":1.4589162625,"spacegroup":193},{"id":"jvasp-121186","created_at":"2022-09-04T14:38:54.258521Z","updated_at":"2022-09-04T14:38:54.258543Z","structure_string":"Li1 S2\n1.0\n4.463233 -0.000000 -0.000000\n-2.231617 3.865273 0.000000\n-0.000000 -0.000000 3.321347\nLi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666666 0.000000 S\n0.666666 0.333333 0.000000 S\n","nsites":3,"nelements":2,"elements":["Li","S"],"chemical_system":"Li-S","density":2.0596695094946202,"density_atomic":0.05235730344110757,"volume":57.298596429330125,"volume_molar":11.502007101595316,"formula_full":"Li1 S2","formula_reduced":"LiS2","formula_anonymous":"AB2","energy_above_hull":1.32199,"spacegroup":191},{"id":"jvasp-121976","created_at":"2022-09-04T14:38:54.258948Z","updated_at":"2022-09-04T14:38:54.258975Z","structure_string":"Ti1 Mo6 Se8\n1.0\n6.662514 0.022550 -0.087147\n-0.088589 6.661963 -0.087147\n0.022177 0.022550 6.663047\nTi Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.447169 0.772153 0.577382 Mo\n0.552831 0.227847 0.422617 Mo\n0.772153 0.577382 0.447169 Mo\n0.227847 0.422617 0.552831 Mo\n0.577382 0.447169 0.772153 Mo\n0.422617 0.552831 0.227847 Mo\n0.639586 0.876035 0.239076 Se\n0.360414 0.123965 0.760923 Se\n0.776654 0.776653 0.776654 Se\n0.223346 0.223346 0.223346 Se\n0.239077 0.639586 0.876035 Se\n0.760923 0.360413 0.123964 Se\n0.876035 0.239077 0.639586 Se\n0.123965 0.760923 0.360413 Se\n","nsites":15,"nelements":3,"elements":["Ti","Mo","Se"],"chemical_system":"Mo-Se-Ti","density":7.0467105680157,"density_atomic":0.05071310045861913,"volume":295.78156066872106,"volume_molar":11.874921283730119,"formula_full":"Ti1 Mo6 Se8","formula_reduced":"Ti(Mo3Se4)2","formula_anonymous":"AB6C8","energy_above_hull":4.178661377777778,"spacegroup":148}]}