{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=98","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=96","results":[{"id":"jvasp-101443","created_at":"2022-09-04T14:36:32.996538Z","updated_at":"2022-09-04T14:36:32.996559Z","structure_string":"Yb1 Ag1 S2\n1.0\n3.870675 0.000000 0.000000\n-0.000000 3.870675 0.000000\n-0.000000 0.000000 5.449313\nYb Ag S\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Yb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 S\n0.500001 0.500001 0.000000 S\n","nsites":4,"nelements":3,"elements":["Yb","Ag","S"],"chemical_system":"Ag-S-Yb","density":7.0178019575594135,"density_atomic":0.048994217137501,"volume":81.64228828831173,"volume_molar":12.291533801017817,"formula_full":"Yb1 Ag1 S2","formula_reduced":"YbAgS2","formula_anonymous":"ABC2","energy_above_hull":0.3823494899999999,"spacegroup":123},{"id":"jvasp-101445","created_at":"2022-09-04T14:36:35.949003Z","updated_at":"2022-09-04T14:36:35.949020Z","structure_string":"Y1 Th1 N2\n1.0\n3.589667 0.000000 -0.000000\n0.000000 3.589667 0.000000\n-0.000000 -0.000000 5.036362\nY Th N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n","nsites":4,"nelements":3,"elements":["Y","Th","N"],"chemical_system":"N-Th-Y","density":8.928862482993077,"density_atomic":0.06163603991313376,"volume":64.89709601131686,"volume_molar":9.770486177384617,"formula_full":"Y1 Th1 N2","formula_reduced":"YThN2","formula_anonymous":"ABC2","energy_above_hull":3.6811593875,"spacegroup":123},{"id":"jvasp-101446","created_at":"2022-09-04T14:36:33.148244Z","updated_at":"2022-09-04T14:36:33.148266Z","structure_string":"Y2 Si2 Pd2\n1.0\n4.394152 -0.010421 3.521020\n2.334634 3.722655 3.521020\n0.029419 0.016230 7.019582\nY Si Pd\n2 2 2\ndirect\n0.450744 0.450743 0.788747 Y\n0.549256 0.549256 0.211253 Y\n0.153406 0.153405 0.793681 Si\n0.846594 0.846593 0.206319 Si\n0.818119 0.818118 0.623799 Pd\n0.181881 0.181880 0.376201 Pd\n","nsites":6,"nelements":3,"elements":["Y","Si","Pd"],"chemical_system":"Pd-Si-Y","density":6.480504256993131,"density_atomic":0.052405361918557734,"volume":114.4921011961428,"volume_molar":11.491459155188938,"formula_full":"Y2 Si2 Pd2","formula_reduced":"YSiPd","formula_anonymous":"ABC","energy_above_hull":1.9673365833333332,"spacegroup":12},{"id":"jvasp-10145","created_at":"2022-09-04T14:37:13.661653Z","updated_at":"2022-09-04T14:37:13.661686Z","structure_string":"Li4 Ti2 F12\n1.0\n4.652639 -0.000000 0.000000\n-0.000000 4.652639 0.000000\n0.000000 0.000000 8.938368\nLi Ti F\n4 2 12\ndirect\n0.000000 0.000000 0.338518 Li\n0.500000 0.500000 0.838518 Li\n0.500000 0.500000 0.161483 Li\n0.000000 0.000000 0.661483 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.804802 0.195198 0.155413 F\n0.804802 0.195198 0.844587 F\n0.695198 0.695198 0.344587 F\n0.304802 0.304802 0.344587 F\n0.195198 0.804802 0.844587 F\n0.288356 0.288356 0.000000 F\n0.711644 0.711644 0.000000 F\n0.195198 0.804802 0.155413 F\n0.695198 0.695198 0.655413 F\n0.211644 0.788356 0.500000 F\n0.788356 0.211644 0.500000 F\n0.304802 0.304802 0.655413 F\n","nsites":18,"nelements":3,"elements":["Li","Ti","F"],"chemical_system":"F-Li-Ti","density":3.0164166921369437,"density_atomic":0.09302840193650655,"volume":193.48929601397757,"volume_molar":6.473443200830444,"formula_full":"Li4 Ti2 F12","formula_reduced":"Li2TiF6","formula_anonymous":"AB2C6","energy_above_hull":0.1903588920370369,"spacegroup":136},{"id":"jvasp-101450","created_at":"2022-09-04T14:36:33.134308Z","updated_at":"2022-09-04T14:36:33.134330Z","structure_string":"Tb2 Ni1 Sb4\n1.0\n4.343909 0.000000 -0.000000\n0.000000 4.343909 0.000000\n-0.000000 0.000000 9.330852\nTb Ni Sb\n2 1 4\ndirect\n0.500000 0.000000 0.233290 Tb\n0.000000 0.500000 0.766710 Tb\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.867130 Sb\n0.000000 0.500000 0.132870 Sb\n","nsites":7,"nelements":3,"elements":["Tb","Ni","Sb"],"chemical_system":"Ni-Sb-Tb","density":8.144623194221822,"density_atomic":0.0397571552449845,"volume":176.0689354373028,"volume_molar":15.147313038096994,"formula_full":"Tb2 Ni1 Sb4","formula_reduced":"Tb2NiSb4","formula_anonymous":"AB2C4","energy_above_hull":1.577429085714286,"spacegroup":115},{"id":"jvasp-101451","created_at":"2022-09-04T14:36:38.680334Z","updated_at":"2022-09-04T14:36:38.680356Z","structure_string":"Sm1 Zn2 Ga2\n1.0\n3.921113 -0.007604 -4.708871\n-0.519182 3.886597 -4.708871\n0.006669 0.007604 6.127687\nSm Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.614083 0.614084 0.000001 Ga\n0.385917 0.385918 0.000001 Ga\n","nsites":5,"nelements":3,"elements":["Sm","Zn","Ga"],"chemical_system":"Ga-Sm-Zn","density":7.458881746089838,"density_atomic":0.05339499862427065,"volume":93.64172916613308,"volume_molar":11.278473480965019,"formula_full":"Sm1 Zn2 Ga2","formula_reduced":"Sm(ZnGa)2","formula_anonymous":"AB2C2","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-101453","created_at":"2022-09-04T14:36:34.082206Z","updated_at":"2022-09-04T14:36:34.082225Z","structure_string":"Nd1 Cu1 Ge1\n1.0\n4.211936 0.000000 0.000000\n-2.105968 3.647644 0.000000\n0.000000 0.000000 4.115307\nNd Cu Ge\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Nd\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Ge\n","nsites":3,"nelements":3,"elements":["Nd","Cu","Ge"],"chemical_system":"Cu-Ge-Nd","density":7.36502158331295,"density_atomic":0.047448753359660416,"volume":63.22610790762134,"volume_molar":12.691884050888161,"formula_full":"Nd1 Cu1 Ge1","formula_reduced":"NdCuGe","formula_anonymous":"ABC","energy_above_hull":0.3805792999999999,"spacegroup":187},{"id":"jvasp-101454","created_at":"2022-09-04T14:36:34.782787Z","updated_at":"2022-09-04T14:36:34.782814Z","structure_string":"Nb2 Rh4\n1.0\n2.832610 0.000000 0.000000\n0.000000 4.659388 1.234145\n0.000000 -0.003706 6.988933\nNb Rh\n2 4\ndirect\n0.500000 0.268596 0.652655 Nb\n0.500000 0.521264 0.015308 Nb\n0.000000 0.758422 0.670516 Rh\n0.000000 0.209291 0.332366 Rh\n0.000000 0.017676 0.993124 Rh\n0.500000 0.724751 0.336029 Rh\n","nsites":6,"nelements":2,"elements":["Nb","Rh"],"chemical_system":"Nb-Rh","density":10.753554806737906,"density_atomic":0.06503748198942735,"volume":92.25449412348674,"volume_molar":9.259492489237166,"formula_full":"Nb2 Rh4","formula_reduced":"NbRh2","formula_anonymous":"AB2","energy_above_hull":3.2108218,"spacegroup":6},{"id":"jvasp-101456","created_at":"2022-09-04T14:36:34.272576Z","updated_at":"2022-09-04T14:36:34.272605Z","structure_string":"Mn2 Sb1 Te1\n1.0\n4.147820 -0.000000 -0.000000\n-2.073910 3.592117 -0.000000\n0.000000 0.000000 5.722347\nMn Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.743222 Mn\n0.000000 0.000000 0.256778 Mn\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666668 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Mn","Sb","Te"],"chemical_system":"Mn-Sb-Te","density":6.996558882629442,"density_atomic":0.046915400333394704,"volume":85.2598501041197,"volume_molar":12.836170462587738,"formula_full":"Mn2 Sb1 Te1","formula_reduced":"Mn2SbTe","formula_anonymous":"ABC2","energy_above_hull":2.753952087356322,"spacegroup":187},{"id":"jvasp-101458","created_at":"2022-09-04T14:36:35.022947Z","updated_at":"2022-09-04T14:36:35.022956Z","structure_string":"Mn1 Ga1 Pd2\n1.0\n3.348098 0.000000 0.000000\n0.000000 3.348098 0.000000\n-0.000000 0.000000 5.425406\nMn Ga Pd\n1 1 2\ndirect\n0.500000 0.500000 0.266559 Mn\n0.000000 0.000000 0.981714 Ga\n0.000000 0.000000 0.472625 Pd\n0.500000 0.500000 0.779105 Pd\n","nsites":4,"nelements":3,"elements":["Mn","Ga","Pd"],"chemical_system":"Ga-Mn-Pd","density":9.21500665234011,"density_atomic":0.06577054264694925,"volume":60.81750034315004,"volume_molar":9.156288693444946,"formula_full":"Mn1 Ga1 Pd2","formula_reduced":"MnGaPd2","formula_anonymous":"ABC2","energy_above_hull":1.7103227415948274,"spacegroup":99},{"id":"jvasp-101459","created_at":"2022-09-04T14:36:46.055090Z","updated_at":"2022-09-04T14:36:46.055117Z","structure_string":"Mg6 Si1 Sn2\n1.0\n6.071263 0.006297 -5.410471\n-0.612500 4.460798 -6.771971\n0.002982 -0.006297 8.132246\nMg Si Sn\n6 1 2\ndirect\n0.237010 0.500000 0.737011 Mg\n0.917246 0.160004 0.757243 Mg\n0.597239 0.839996 0.757243 Mg\n0.762989 0.500001 0.262990 Mg\n0.402760 0.160004 0.242757 Mg\n0.082753 0.839996 0.242758 Mg\n0.000000 0.000000 0.000000 Si\n0.666222 0.666223 0.000000 Sn\n0.333778 0.333778 0.000000 Sn\n","nsites":9,"nelements":3,"elements":["Mg","Si","Sn"],"chemical_system":"Mg-Si-Sn","density":3.103783840574302,"density_atomic":0.04089673968016397,"volume":220.06644222461685,"volume_molar":14.725234351433892,"formula_full":"Mg6 Si1 Sn2","formula_reduced":"Mg6SiSn2","formula_anonymous":"AB2C6","energy_above_hull":0.0,"spacegroup":71},{"id":"jvasp-10146","created_at":"2022-09-04T14:37:12.376334Z","updated_at":"2022-09-04T14:37:12.376361Z","structure_string":"Ti2 Hg2 O6\n1.0\n4.742768 0.004510 2.903988\n1.629220 4.454157 2.903988\n0.006444 0.004510 5.561201\nTi Hg O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.750001 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n0.167106 0.750001 0.332894 O\n0.750000 0.332894 0.167107 O\n0.332893 0.167107 0.750000 O\n0.832893 0.250000 0.667107 O\n0.667106 0.832894 0.250000 O\n0.249999 0.667107 0.832894 O\n","nsites":10,"nelements":3,"elements":["Ti","Hg","O"],"chemical_system":"Hg-O-Ti","density":8.392323601589025,"density_atomic":0.08524012068215489,"volume":117.31564807713265,"volume_molar":7.064913460711162,"formula_full":"Ti2 Hg2 O6","formula_reduced":"TiHgO3","formula_anonymous":"ABC3","energy_above_hull":1.5999866866666663,"spacegroup":167}]}