{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3423","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3421","results":[{"id":"jvasp-64855","created_at":"2022-09-04T14:36:21.589883Z","updated_at":"2022-09-04T14:36:21.589906Z","structure_string":"Ba4 Hf1 Bi1\n1.0\n0.000000 5.007566 5.007566\n5.007566 0.000000 5.007566\n5.007566 5.007566 -0.000000\nBa Hf Bi\n4 1 1\ndirect\n0.125993 0.624670 0.624670 Ba\n0.624670 0.624670 0.624670 Ba\n0.624670 0.125993 0.624670 Ba\n0.624670 0.624670 0.125993 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Bi\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Bi"],"chemical_system":"Ba-Bi-Hf","density":6.194067361086386,"density_atomic":0.023891378497801347,"volume":251.13661819690154,"volume_molar":25.206334412868642,"formula_full":"Ba4 Hf1 Bi1","formula_reduced":"Ba4HfBi","formula_anonymous":"ABC4","energy_above_hull":1.0910451966666663,"spacegroup":216},{"id":"jvasp-71084","created_at":"2022-09-04T14:36:21.587625Z","updated_at":"2022-09-04T14:36:21.587651Z","structure_string":"Sc1 Be1 Sn2\n1.0\n3.843329 0.000000 -0.000000\n-0.000000 3.843329 0.000000\n-0.000000 0.000000 5.701446\nSc Be Sn\n1 1 2\ndirect\n0.500000 0.500000 0.756707 Sc\n0.000000 0.000000 0.502302 Be\n0.000000 0.000000 0.968858 Sn\n0.500000 0.500000 0.272134 Sn\n","nsites":4,"nelements":3,"elements":["Sc","Be","Sn"],"chemical_system":"Be-Sc-Sn","density":5.745406468246302,"density_atomic":0.04749630777591154,"volume":84.21707259587575,"volume_molar":12.679176639187562,"formula_full":"Sc1 Be1 Sn2","formula_reduced":"ScBeSn2","formula_anonymous":"ABC2","energy_above_hull":1.3256961874999995,"spacegroup":99},{"id":"jvasp-15496","created_at":"2022-09-04T14:36:21.586357Z","updated_at":"2022-09-04T14:36:21.586379Z","structure_string":"Mn1 Sn1 Rh2\n1.0\n3.851119 0.000000 2.223445\n1.283706 3.630870 2.223445\n-0.000000 -0.000000 4.446888\nMn Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.499999 Sn\n0.250000 0.250000 0.249999 Rh\n0.750001 0.750000 0.749998 Rh\n","nsites":4,"nelements":3,"elements":["Mn","Sn","Rh"],"chemical_system":"Mn-Rh-Sn","density":10.133516458782601,"density_atomic":0.06432890540759639,"volume":62.18044555018424,"volume_molar":9.361484890568128,"formula_full":"Mn1 Sn1 Rh2","formula_reduced":"MnSnRh2","formula_anonymous":"ABC2","energy_above_hull":2.521636235344828,"spacegroup":225},{"id":"jvasp-100308","created_at":"2022-09-04T14:36:21.585695Z","updated_at":"2022-09-04T14:36:21.585716Z","structure_string":"Cr1 Fe1 Co1 Si1\n1.0\n3.438067 -0.000000 1.984969\n1.146022 3.241441 1.984969\n-0.000000 0.000000 3.969938\nCr Fe Co Si\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750001 Si\n","nsites":4,"nelements":4,"elements":["Cr","Fe","Co","Si"],"chemical_system":"Co-Cr-Fe-Si","density":7.313666580542306,"density_atomic":0.09041152821689931,"volume":44.24214565208885,"volume_molar":6.660810716032526,"formula_full":"Cr1 Fe1 Co1 Si1","formula_reduced":"CrFeCoSi","formula_anonymous":"ABCD","energy_above_hull":3.5965706000000006,"spacegroup":216},{"id":"jvasp-18514","created_at":"2022-09-04T14:36:21.582670Z","updated_at":"2022-09-04T14:36:21.582686Z","structure_string":"Zr6 Co1 As2\n1.0\n3.756892 -6.507127 -0.000000\n3.756892 6.507127 0.000000\n0.000000 -0.000000 3.583272\nZr Co As\n6 1 2\ndirect\n-0.000000 0.752981 0.000000 Zr\n0.247019 0.247019 0.000000 Zr\n0.752981 -0.000000 0.000000 Zr\n0.414617 -0.000000 0.500000 Zr\n0.585382 0.585382 0.500000 Zr\n-0.000000 0.414617 0.500000 Zr\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n","nsites":9,"nelements":3,"elements":["Zr","Co","As"],"chemical_system":"As-Co-Zr","density":7.1665854731251155,"density_atomic":0.05137061254958038,"volume":175.19744370020203,"volume_molar":11.722929630608798,"formula_full":"Zr6 Co1 As2","formula_reduced":"Zr6CoAs2","formula_anonymous":"AB2C6","energy_above_hull":4.360619044444444,"spacegroup":189},{"id":"jvasp-74927","created_at":"2022-09-04T14:36:21.578177Z","updated_at":"2022-09-04T14:36:21.578195Z","structure_string":"Ta1 Be1 Pt2\n1.0\n4.668876 0.000000 0.000000\n0.000000 4.668876 0.000000\n0.000000 0.000000 2.792013\nTa Be Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n","nsites":4,"nelements":3,"elements":["Ta","Be","Pt"],"chemical_system":"Be-Pt-Ta","density":15.828175450266917,"density_atomic":0.06572307517054683,"volume":60.86142484386613,"volume_molar":9.162901681598072,"formula_full":"Ta1 Be1 Pt2","formula_reduced":"TaBePt2","formula_anonymous":"ABC2","energy_above_hull":3.351907025,"spacegroup":123},{"id":"jvasp-70939","created_at":"2022-09-04T14:36:21.572591Z","updated_at":"2022-09-04T14:36:21.572616Z","structure_string":"K4 Y1 Be1\n1.0\n-0.000000 5.152144 5.152144\n5.152144 0.000000 5.152144\n5.152144 5.152144 0.000000\nK Y Be\n4 1 1\ndirect\n0.121278 0.626241 0.626241 K\n0.626241 0.626241 0.626241 K\n0.626241 0.121278 0.626241 K\n0.626241 0.626241 0.121278 K\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n","nsites":6,"nelements":3,"elements":["K","Y","Be"],"chemical_system":"Be-K-Y","density":1.5439053248183294,"density_atomic":0.021935991854380756,"volume":273.5230774988532,"volume_molar":27.453241230108045,"formula_full":"K4 Y1 Be1","formula_reduced":"K4YBe","formula_anonymous":"ABC4","energy_above_hull":0.3418889249999998,"spacegroup":216},{"id":"jvasp-86627","created_at":"2022-09-04T14:36:21.572496Z","updated_at":"2022-09-04T14:36:21.572530Z","structure_string":"Na2 Ca2 V2 O8\n1.0\n5.528270 0.016860 -0.000000\n-2.348910 5.004464 -0.000000\n-0.000000 -0.000000 7.129771\nNa Ca V O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.819257 0.180743 0.250000 Ca\n0.180743 0.819256 0.750000 Ca\n0.144915 0.855084 0.250000 V\n0.855085 0.144915 0.750000 V\n0.258873 0.199824 0.250000 O\n0.252539 0.747461 0.053666 O\n0.800176 0.741126 0.250000 O\n0.747461 0.252539 0.553666 O\n0.199824 0.258873 0.750000 O\n0.252539 0.747461 0.446334 O\n0.747461 0.252539 0.946334 O\n0.741127 0.800175 0.750000 O\n","nsites":14,"nelements":4,"elements":["Na","Ca","V","O"],"chemical_system":"Ca-Na-O-V","density":2.992762347086098,"density_atomic":0.07087358671131691,"volume":197.53480315628664,"volume_molar":8.497017068614646,"formula_full":"Na2 Ca2 V2 O8","formula_reduced":"NaCaVO4","formula_anonymous":"ABCD4","energy_above_hull":1.703408231428572,"spacegroup":63},{"id":"jvasp-107920","created_at":"2022-09-04T14:36:21.571008Z","updated_at":"2022-09-04T14:36:21.571038Z","structure_string":"Er1 Mg1 Tl2\n1.0\n4.522604 -0.000000 2.611126\n1.507535 4.263952 2.611126\n-0.000000 -0.000000 5.222253\nEr Mg Tl\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750000 0.750001 Tl\n","nsites":4,"nelements":3,"elements":["Er","Mg","Tl"],"chemical_system":"Er-Mg-Tl","density":9.898760132418657,"density_atomic":0.03971926594280013,"volume":100.70679568349564,"volume_molar":15.16176247736428,"formula_full":"Er1 Mg1 Tl2","formula_reduced":"ErMgTl2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-100126","created_at":"2022-09-04T14:36:21.570587Z","updated_at":"2022-09-04T14:36:21.570612Z","structure_string":"Rb2 Li1 Er1 Cl6\n1.0\n6.270355 -0.000000 3.620191\n2.090118 5.911747 3.620191\n-0.000000 -0.000000 7.240381\nRb Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.746830 0.253170 0.253170 Cl\n0.253169 0.253170 0.746830 Cl\n0.253169 0.746831 0.746830 Cl\n0.253169 0.746831 0.253169 Cl\n0.746830 0.253170 0.746830 Cl\n0.746830 0.746831 0.253169 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Li","Er","Cl"],"chemical_system":"Cl-Er-Li-Rb","density":3.4514369836912837,"density_atomic":0.03725894992385387,"volume":268.39189028238866,"volume_molar":16.162937421230204,"formula_full":"Rb2 Li1 Er1 Cl6","formula_reduced":"Rb2LiErCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-69277","created_at":"2022-09-04T14:36:21.569983Z","updated_at":"2022-09-04T14:36:21.570011Z","structure_string":"Ba2 Hg1 Br1\n1.0\n0.000000 4.167685 4.167685\n4.167685 0.000000 4.167685\n4.167685 4.167685 0.000000\nBa Hg Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Hg\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Hg","Br"],"chemical_system":"Ba-Br-Hg","density":6.367122721917093,"density_atomic":0.027627738391081184,"volume":144.78202824199624,"volume_molar":21.797443839789917,"formula_full":"Ba2 Hg1 Br1","formula_reduced":"Ba2HgBr","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-66400","created_at":"2022-09-04T14:36:21.568607Z","updated_at":"2022-09-04T14:36:21.568636Z","structure_string":"Ba4 Re1 Sb1\n1.0\n0.000000 4.850690 4.850690\n4.850690 0.000000 4.850690\n4.850690 4.850690 -0.000000\nBa Re Sb\n4 1 1\ndirect\n0.125451 0.624849 0.624849 Ba\n0.624849 0.624849 0.624849 Ba\n0.624849 0.125451 0.624849 Ba\n0.624849 0.624849 0.125451 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Re","Sb"],"chemical_system":"Ba-Re-Sb","density":6.2363244184846245,"density_atomic":0.02628516414414379,"volume":228.26564700516704,"volume_molar":22.910797615626475,"formula_full":"Ba4 Re1 Sb1","formula_reduced":"Ba4ReSb","formula_anonymous":"ABC4","energy_above_hull":1.556212996666667,"spacegroup":216}]}