{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3527","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3525","results":[{"id":"jvasp-107966","created_at":"2022-09-04T14:36:17.990936Z","updated_at":"2022-09-04T14:36:17.990966Z","structure_string":"Pd4\n1.0\n2.778554 -0.000000 0.000000\n-1.389276 2.406298 0.000000\n-0.000000 -0.000000 9.151750\nPd\n4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.333332 0.666667 0.250000 Pd\n0.000000 0.000000 0.500000 Pd\n0.666665 0.333334 0.750000 Pd\n","nsites":4,"nelements":1,"elements":["Pd"],"chemical_system":"Pd","density":11.55207351106095,"density_atomic":0.06537137077383738,"volume":61.188865288424715,"volume_molar":9.212198992789292,"formula_full":"Pd4","formula_reduced":"Pd","formula_anonymous":"A","energy_above_hull":0.0073099999999999,"spacegroup":194},{"id":"jvasp-65044","created_at":"2022-09-04T14:36:17.984079Z","updated_at":"2022-09-04T14:36:17.984099Z","structure_string":"Be1 Pd1 Br4\n1.0\n0.000000 4.340625 4.340625\n4.340625 0.000000 4.340625\n4.340625 4.340625 0.000000\nBe Pd Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n0.124282 0.625239 0.625239 Br\n0.625239 0.625239 0.625239 Br\n0.625239 0.124282 0.625239 Br\n0.625239 0.625239 0.124282 Br\n","nsites":6,"nelements":3,"elements":["Be","Pd","Br"],"chemical_system":"Be-Br-Pd","density":4.416717862911166,"density_atomic":0.0366829667756421,"volume":163.5636516723633,"volume_molar":16.416722226509687,"formula_full":"Be1 Pd1 Br4","formula_reduced":"BePdBr4","formula_anonymous":"ABC4","energy_above_hull":0.7632447033333333,"spacegroup":216},{"id":"jvasp-71609","created_at":"2022-09-04T14:36:17.981490Z","updated_at":"2022-09-04T14:36:17.981507Z","structure_string":"Be1 Ga2 Ru1\n1.0\n-1.833333 1.833333 3.874935\n1.833333 -1.833333 3.874935\n1.833333 1.833333 -3.874935\nBe Ga Ru\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.000000 Ga\n0.250000 0.750000 0.499999 Ru\n","nsites":4,"nelements":3,"elements":["Be","Ga","Ru"],"chemical_system":"Be-Ga-Ru","density":7.953560246693821,"density_atomic":0.07678084131640546,"volume":52.09632938920839,"volume_molar":7.843285716528444,"formula_full":"Be1 Ga2 Ru1","formula_reduced":"BeGa2Ru","formula_anonymous":"ABC2","energy_above_hull":1.3373803125,"spacegroup":139},{"id":"jvasp-15392","created_at":"2022-09-04T14:36:17.977180Z","updated_at":"2022-09-04T14:36:17.977209Z","structure_string":"Ho2 Cu2 Si2\n1.0\n2.068210 -3.582244 0.000000\n2.068210 3.582244 -0.000000\n-0.000000 0.000000 7.467421\nHo Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.250000 Si\n","nsites":6,"nelements":3,"elements":["Ho","Cu","Si"],"chemical_system":"Cu-Ho-Si","density":7.700531306639507,"density_atomic":0.054225157279515226,"volume":110.64974821689701,"volume_molar":11.105805980345213,"formula_full":"Ho2 Cu2 Si2","formula_reduced":"HoCuSi","formula_anonymous":"ABC","energy_above_hull":0.9934882055555554,"spacegroup":194},{"id":"jvasp-100162","created_at":"2022-09-04T14:36:17.970133Z","updated_at":"2022-09-04T14:36:17.970157Z","structure_string":"Dy2 Ho6\n1.0\n7.105720 -0.000000 0.000000\n-3.552860 6.153735 -0.000000\n-0.000000 0.000000 5.557902\nDy Ho\n2 6\ndirect\n0.333333 0.666666 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.166523 0.333047 0.250000 Ho\n0.666953 0.833476 0.250000 Ho\n0.166523 0.833476 0.250000 Ho\n0.833476 0.666953 0.750000 Ho\n0.333047 0.166523 0.750000 Ho\n0.833476 0.166523 0.750000 Ho\n","nsites":8,"nelements":2,"elements":["Dy","Ho"],"chemical_system":"Dy-Ho","density":8.982122779665207,"density_atomic":0.032917907601491575,"volume":243.02881267087292,"volume_molar":18.294421482995855,"formula_full":"Dy2 Ho6","formula_reduced":"DyHo3","formula_anonymous":"AB3","energy_above_hull":1.4029558,"spacegroup":194},{"id":"jvasp-65403","created_at":"2022-09-04T14:36:17.970010Z","updated_at":"2022-09-04T14:36:17.970040Z","structure_string":"Ba1 Fe1 Pd2\n1.0\n4.695665 0.000000 0.000000\n0.000000 4.695665 0.000000\n0.000000 0.000000 3.823892\nBa Fe Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500001 0.500001 0.500000 Fe\n0.000000 0.500001 -0.000000 Pd\n0.500001 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Fe","Pd"],"chemical_system":"Ba-Fe-Pd","density":7.996282665888908,"density_atomic":0.04744169116910072,"volume":84.31402636433084,"volume_molar":12.693773370208785,"formula_full":"Ba1 Fe1 Pd2","formula_reduced":"BaFePd2","formula_anonymous":"ABC2","energy_above_hull":1.6794007175,"spacegroup":123},{"id":"jvasp-69631","created_at":"2022-09-04T14:36:17.969130Z","updated_at":"2022-09-04T14:36:17.969151Z","structure_string":"Y1 Be2 Re1\n1.0\n3.157269 0.000000 0.000000\n0.000000 3.157269 0.000000\n0.000000 -0.000000 6.389211\nY Be Re\n1 2 1\ndirect\n0.500000 0.500000 0.734475 Y\n0.000000 0.000000 0.074381 Be\n0.500000 0.500000 0.274112 Be\n0.000000 0.000000 0.417031 Re\n","nsites":4,"nelements":3,"elements":["Y","Be","Re"],"chemical_system":"Be-Re-Y","density":7.642749966705025,"density_atomic":0.06280433041011092,"volume":63.689875743919025,"volume_molar":9.588734917919751,"formula_full":"Y1 Be2 Re1","formula_reduced":"YBe2Re","formula_anonymous":"ABC2","energy_above_hull":3.4498864125,"spacegroup":99},{"id":"jvasp-70364","created_at":"2022-09-04T14:36:17.968594Z","updated_at":"2022-09-04T14:36:17.968614Z","structure_string":"Be2 Si1 Tc1\n1.0\n-1.694773 1.694773 3.798824\n1.694773 -1.694773 3.798824\n1.694773 1.694773 -3.798824\nBe Si Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Si\n0.749999 0.250000 0.499999 Tc\n","nsites":4,"nelements":3,"elements":["Be","Si","Tc"],"chemical_system":"Be-Si-Tc","density":5.482903071730016,"density_atomic":0.09164900490865809,"volume":43.64477283726754,"volume_molar":6.570874136606243,"formula_full":"Be2 Si1 Tc1","formula_reduced":"Be2SiTc","formula_anonymous":"ABC2","energy_above_hull":2.996555575,"spacegroup":119},{"id":"jvasp-88043","created_at":"2022-09-04T14:36:17.966845Z","updated_at":"2022-09-04T14:36:17.966868Z","structure_string":"Li2 Ge4 P6 O24\n1.0\n7.235785 -0.026865 4.206706\n2.407566 6.823557 4.206706\n-0.038118 -0.026865 8.369677\nLi Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Li\n0.139897 0.139897 0.139897 Ge\n0.360103 0.360103 0.360104 Ge\n0.860103 0.860102 0.860105 Ge\n0.639897 0.639896 0.639898 Ge\n0.750000 0.461115 0.038885 P\n0.461115 0.038884 0.750001 P\n0.038885 0.750000 0.461116 P\n0.250000 0.538884 0.961117 P\n0.538884 0.961116 0.250001 P\n0.961115 0.249999 0.538886 P\n0.264040 0.055720 0.920166 O\n0.555721 0.764040 0.420166 O\n0.944279 0.079833 0.735961 O\n0.079835 0.735959 0.944280 O\n0.735959 0.944279 0.079835 O\n0.235960 0.579834 0.444280 O\n0.579834 0.444279 0.235960 O\n0.444279 0.235959 0.579835 O\n0.055721 0.920166 0.264041 O\n0.920165 0.264040 0.055722 O\n0.871931 0.697341 0.493432 O\n0.128069 0.302658 0.506570 O\n0.493430 0.871931 0.697342 O\n0.006570 0.802659 0.628069 O\n0.802659 0.628069 0.006571 O\n0.628069 0.006569 0.802660 O\n0.420166 0.555720 0.764042 O\n0.302659 0.506570 0.128069 O\n0.506570 0.128068 0.302659 O\n0.993430 0.197340 0.371932 O\n0.197341 0.371930 0.993431 O\n0.371931 0.993430 0.197342 O\n0.697341 0.493429 0.871932 O\n0.764040 0.420165 0.555722 O\n","nsites":36,"nelements":4,"elements":["Li","Ge","P","O"],"chemical_system":"Ge-Li-O-P","density":3.494610927783325,"density_atomic":0.08665758311716157,"volume":415.4281564872146,"volume_molar":6.949352316759206,"formula_full":"Li2 Ge4 P6 O24","formula_reduced":"LiGe2(PO4)3","formula_anonymous":"AB2C3D12","energy_above_hull":2.686704466666667,"spacegroup":167},{"id":"jvasp-86655","created_at":"2022-09-04T14:36:17.963116Z","updated_at":"2022-09-04T14:36:17.963142Z","structure_string":"Sc4 Ru8\n1.0\n5.129154 0.000000 0.000000\n-2.564577 4.441978 -0.000000\n-0.000000 0.000000 8.604992\nSc Ru\n4 8\ndirect\n0.333332 0.666667 0.432137 Sc\n0.666666 0.333333 0.567862 Sc\n0.666666 0.333333 0.932137 Sc\n0.333332 0.666667 0.067862 Sc\n0.171994 0.343990 0.750000 Ru\n0.171994 0.828006 0.750000 Ru\n0.343990 0.171995 0.250000 Ru\n0.828005 0.656010 0.250000 Ru\n0.656009 0.828006 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.828005 0.171995 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n","nsites":12,"nelements":2,"elements":["Sc","Ru"],"chemical_system":"Ru-Sc","density":8.371475996534462,"density_atomic":0.06120806260547994,"volume":196.0526030262824,"volume_molar":9.838803098238955,"formula_full":"Sc4 Ru8","formula_reduced":"ScRu2","formula_anonymous":"AB2","energy_above_hull":3.2969887500000006,"spacegroup":194},{"id":"jvasp-91334","created_at":"2022-09-04T14:36:17.959308Z","updated_at":"2022-09-04T14:36:17.959339Z","structure_string":"Cu4 Bi5 S10\n1.0\n3.903982 -0.000000 -0.000000\n-1.951991 8.366186 -2.713180\n-0.000000 0.024426 12.935025\nCu Bi S\n4 5 10\ndirect\n0.711494 0.422987 0.057341 Cu\n0.288507 0.577014 0.942659 Cu\n0.902970 0.805941 0.485405 Cu\n0.097030 0.194060 0.514595 Cu\n0.000000 0.000000 0.000000 Bi\n0.804084 0.608168 0.663995 Bi\n0.410885 0.821770 0.224196 Bi\n0.589115 0.178231 0.775804 Bi\n0.195916 0.391833 0.336005 Bi\n0.021963 0.043925 0.633719 S\n0.760246 0.520491 0.241462 S\n0.239754 0.479510 0.758538 S\n0.335180 0.670361 0.497142 S\n0.664820 0.329640 0.502858 S\n0.846805 0.693612 0.028178 S\n0.153195 0.306389 0.971822 S\n0.978037 0.956076 0.366281 S\n0.455932 0.911864 0.832283 S\n0.544068 0.088137 0.167717 S\n","nsites":19,"nelements":3,"elements":["Cu","Bi","S"],"chemical_system":"Bi-Cu-S","density":6.362456944085118,"density_atomic":0.044945387080935456,"volume":422.7352623704348,"volume_molar":13.398796074790997,"formula_full":"Cu4 Bi5 S10","formula_reduced":"Cu4(BiS2)5","formula_anonymous":"A4B5C10","energy_above_hull":1.424574910526316,"spacegroup":12},{"id":"jvasp-94895","created_at":"2022-09-04T14:36:17.957723Z","updated_at":"2022-09-04T14:36:17.957750Z","structure_string":"Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n","nsites":7,"nelements":3,"elements":["Ti","Cr","S"],"chemical_system":"Cr-S-Ti","density":3.9441973102323287,"density_atomic":0.05935600978779242,"volume":117.93245578714203,"volume_molar":10.145797841752087,"formula_full":"Ti1 Cr2 S4","formula_reduced":"Ti(CrS2)2","formula_anonymous":"AB2C4","energy_above_hull":3.277340447619048,"spacegroup":12}]}