{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=482","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=480","results":[{"id":"jvasp-107743","created_at":"2022-09-04T14:35:56.613873Z","updated_at":"2022-09-04T14:35:56.613892Z","structure_string":"Pu1 Ta1 C2\n1.0\n3.154529 0.003145 5.028203\n1.449064 2.802013 5.028203\n0.005161 0.003145 5.935810\nPu Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.499998 0.500001 Ta\n0.240738 0.240736 0.240738 C\n0.759263 0.759259 0.759264 C\n","nsites":4,"nelements":3,"elements":["Pu","Ta","C"],"chemical_system":"C-Pu-Ta","density":14.243958597066252,"density_atomic":0.07642315632890385,"volume":52.34015699096646,"volume_molar":7.8799948200024525,"formula_full":"Pu1 Ta1 C2","formula_reduced":"PuTaC2","formula_anonymous":"ABC2","energy_above_hull":6.5406573,"spacegroup":166},{"id":"jvasp-105675","created_at":"2022-09-04T14:35:56.615459Z","updated_at":"2022-09-04T14:35:56.615485Z","structure_string":"Na2 Hg1 As1 F6\n1.0\n5.551107 0.000000 3.204933\n1.850369 5.233633 3.204933\n-0.000000 -0.000000 6.409865\nNa Hg As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750000 Na\n0.500001 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.222465 0.222464 0.777536 F\n0.222465 0.777535 0.777536 F\n0.777536 0.777535 0.222464 F\n0.222465 0.777535 0.222464 F\n0.777536 0.222464 0.777535 F\n0.777536 0.222464 0.222464 F\n","nsites":10,"nelements":4,"elements":["Na","Hg","As","F"],"chemical_system":"As-F-Hg-Na","density":3.883176391398113,"density_atomic":0.05369925411600892,"volume":186.2223258892302,"volume_molar":11.214570591595365,"formula_full":"Na2 Hg1 As1 F6","formula_reduced":"Na2HgAsF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-65535","created_at":"2022-09-04T14:35:56.620623Z","updated_at":"2022-09-04T14:35:56.620655Z","structure_string":"K2 Ba1 V1\n1.0\n4.162901 0.000000 0.000000\n-0.000000 4.162901 -0.000000\n0.000000 0.000000 11.465677\nK Ba V\n2 1 1\ndirect\n0.000000 0.000000 0.992590 K\n0.500000 0.500000 0.314670 K\n0.500000 0.500000 0.679208 Ba\n0.000000 0.000000 0.513532 V\n","nsites":4,"nelements":3,"elements":["K","Ba","V"],"chemical_system":"Ba-K-V","density":2.2268838440950596,"density_atomic":0.020131128571726296,"volume":198.69725563314455,"volume_molar":29.914571051212487,"formula_full":"K2 Ba1 V1","formula_reduced":"K2BaV","formula_anonymous":"ABC2","energy_above_hull":0.7274915425000001,"spacegroup":99},{"id":"jvasp-70453","created_at":"2022-09-04T14:35:56.621633Z","updated_at":"2022-09-04T14:35:56.621645Z","structure_string":"Be2 Ni1 Pd1\n1.0\n-1.646113 1.646113 3.919860\n1.646113 -1.646113 3.919860\n1.646113 1.646113 -3.919860\nBe Ni Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Ni\n0.749999 0.250000 0.499999 Pd\n","nsites":4,"nelements":3,"elements":["Be","Ni","Pd"],"chemical_system":"Be-Ni-Pd","density":7.157760584958209,"density_atomic":0.09414779528245076,"volume":42.486390552213,"volume_molar":6.396475607244021,"formula_full":"Be2 Ni1 Pd1","formula_reduced":"Be2NiPd","formula_anonymous":"ABC2","energy_above_hull":1.522557575,"spacegroup":119},{"id":"jvasp-96781","created_at":"2022-09-04T14:35:56.622861Z","updated_at":"2022-09-04T14:35:56.622881Z","structure_string":"K8 Se4 O16\n1.0\n5.964567 -0.000000 0.000000\n-0.000000 7.634883 0.000000\n0.000000 0.000000 10.422801\nK Se O\n8 4 16\ndirect\n0.750000 0.161920 0.918042 K\n0.250000 0.838079 0.081958 K\n0.750000 0.661920 0.581958 K\n0.250000 0.338079 0.418042 K\n0.750000 -0.004287 0.295349 K\n0.250000 0.004287 0.704651 K\n0.750000 0.495712 0.204651 K\n0.250000 0.504287 0.795349 K\n0.750000 0.222295 0.580375 Se\n0.750000 0.722295 0.919625 Se\n0.250000 0.277705 0.080375 Se\n0.250000 0.777705 0.419625 Se\n0.021082 0.206698 0.157418 O\n0.521082 0.793302 0.842582 O\n0.250000 0.495583 0.073308 O\n0.021082 0.706698 0.342582 O\n0.521082 0.293302 0.657418 O\n0.478918 0.206698 0.157418 O\n0.978918 0.793302 0.842582 O\n0.750000 0.311283 0.432851 O\n0.250000 0.688717 0.567149 O\n0.750000 0.811283 0.067149 O\n0.250000 0.188717 0.932851 O\n0.750000 0.004417 0.573308 O\n0.250000 0.995583 0.426692 O\n0.750000 0.504416 0.926692 O\n0.978918 0.293302 0.657418 O\n0.478918 0.706698 0.342582 O\n","nsites":28,"nelements":3,"elements":["K","Se","O"],"chemical_system":"K-O-Se","density":3.0948423197786425,"density_atomic":0.05899188557263151,"volume":474.64154990479267,"volume_molar":10.208422228825807,"formula_full":"K8 Se4 O16","formula_reduced":"K2SeO4","formula_anonymous":"AB2C4","energy_above_hull":1.280023338095238,"spacegroup":62},{"id":"jvasp-43117","created_at":"2022-09-04T14:35:56.628150Z","updated_at":"2022-09-04T14:35:56.628175Z","structure_string":"Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n","nsites":24,"nelements":4,"elements":["Mn","Cr","Sb","O"],"chemical_system":"Cr-Mn-O-Sb","density":5.3047688628690475,"density_atomic":0.08613926475227533,"volume":278.61858432412555,"volume_molar":6.991168054799223,"formula_full":"Mn3 Cr2 Sb3 O16","formula_reduced":"Mn3Cr2Sb3O16","formula_anonymous":"A2B3C3D16","energy_above_hull":3.4233879510057474,"spacegroup":8},{"id":"jvasp-69988","created_at":"2022-09-04T14:35:56.629173Z","updated_at":"2022-09-04T14:35:56.629184Z","structure_string":"Y1 Be2 W1\n1.0\n-2.098880 2.098880 3.448039\n2.098880 -2.098880 3.448039\n2.098880 2.098880 -3.448039\nY Be W\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750000 0.500000 W\n","nsites":4,"nelements":3,"elements":["Y","Be","W"],"chemical_system":"Be-W-Y","density":7.94678812967683,"density_atomic":0.06583435911815816,"volume":60.758546959056474,"volume_molar":9.1474130540127,"formula_full":"Y1 Be2 W1","formula_reduced":"YBe2W","formula_anonymous":"ABC2","energy_above_hull":3.7121494125,"spacegroup":139},{"id":"jvasp-14941","created_at":"2022-09-04T14:35:56.633847Z","updated_at":"2022-09-04T14:35:56.633876Z","structure_string":"Pr1 Ag1\n1.0\n3.760081 -0.000000 0.000000\n0.000000 3.760081 -0.000000\n-0.000000 0.000000 3.760081\nPr Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n","nsites":2,"nelements":2,"elements":["Pr","Ag"],"chemical_system":"Ag-Pr","density":7.770799692695247,"density_atomic":0.03762169807346454,"volume":53.160811510808614,"volume_molar":16.007094491695888,"formula_full":"Pr1 Ag1","formula_reduced":"PrAg","formula_anonymous":"AB","energy_above_hull":0.327958555,"spacegroup":221},{"id":"jvasp-85951","created_at":"2022-09-04T14:35:56.635537Z","updated_at":"2022-09-04T14:35:56.635561Z","structure_string":"Pr2 Ta2 Cl2 O7\n1.0\n3.833048 0.000002 -0.983875\n-0.701247 6.382068 -2.731933\n0.011002 0.023103 8.001228\nPr Ta Cl O\n2 2 2 7\ndirect\n0.308595 0.833784 0.617189 Pr\n0.691404 0.166216 0.382811 Pr\n0.965686 0.202712 0.931383 Ta\n0.034313 0.797287 0.068617 Ta\n0.677169 0.566414 0.354335 Cl\n0.322830 0.433585 0.645665 Cl\n0.456497 0.165507 0.912997 O\n0.543502 0.834492 0.087003 O\n0.918709 0.847802 0.837420 O\n-0.000000 0.500000 0.000000 O\n0.826053 0.071552 0.652110 O\n0.081290 0.152197 0.162580 O\n0.173946 0.928448 0.347890 O\n","nsites":13,"nelements":4,"elements":["Pr","Ta","Cl","O"],"chemical_system":"Cl-O-Pr-Ta","density":7.001064252968598,"density_atomic":0.06630650863631202,"volume":196.0591843449995,"volume_molar":9.082276964741348,"formula_full":"Pr2 Ta2 Cl2 O7","formula_reduced":"Pr2Ta2Cl2O7","formula_anonymous":"A2B2C2D7","energy_above_hull":2.957950825769231,"spacegroup":12},{"id":"jvasp-71597","created_at":"2022-09-04T14:35:56.637285Z","updated_at":"2022-09-04T14:35:56.637317Z","structure_string":"Zr2 Be1 W1\n1.0\n2.807558 0.000000 0.000000\n0.000000 2.807558 0.000000\n0.000000 0.000000 8.784457\nZr Be W\n2 1 1\ndirect\n0.000000 0.000000 0.977117 Zr\n0.500000 0.500000 0.302903 Zr\n0.000000 0.000000 0.517843 Be\n0.500000 0.500000 0.702138 W\n","nsites":4,"nelements":3,"elements":["Zr","Be","W"],"chemical_system":"Be-W-Zr","density":9.000268741849855,"density_atomic":0.05776803514577416,"volume":69.24244506336836,"volume_molar":10.424693768454285,"formula_full":"Zr2 Be1 W1","formula_reduced":"Zr2BeW","formula_anonymous":"ABC2","energy_above_hull":4.625108775,"spacegroup":99},{"id":"jvasp-67585","created_at":"2022-09-04T14:35:56.638283Z","updated_at":"2022-09-04T14:35:56.638301Z","structure_string":"Li1 Be1 Fe1\n1.0\n-1.238126 1.238126 5.354038\n1.238126 -1.238126 5.354038\n1.238126 1.238126 -5.354038\nLi Be Fe\n1 1 1\ndirect\n0.663525 0.663525 0.000000 Li\n0.985738 0.985738 0.000000 Be\n0.350738 0.350738 0.000000 Fe\n","nsites":3,"nelements":3,"elements":["Li","Be","Fe"],"chemical_system":"Be-Fe-Li","density":3.631544892613777,"density_atomic":0.0913797839357699,"volume":32.830018531327184,"volume_molar":6.590233091635359,"formula_full":"Li1 Be1 Fe1","formula_reduced":"LiBeFe","formula_anonymous":"ABC","energy_above_hull":1.8016672,"spacegroup":107},{"id":"jvasp-68117","created_at":"2022-09-04T14:35:56.641463Z","updated_at":"2022-09-04T14:35:56.641488Z","structure_string":"Be1 Zn2 Re1\n1.0\n2.851469 0.000000 0.000000\n-0.000000 2.851469 0.000000\n0.000000 0.000000 6.424274\nBe Zn Re\n1 2 1\ndirect\n0.000000 0.000000 0.508375 Be\n0.000000 0.000000 0.000581 Zn\n0.500000 0.500000 0.279793 Zn\n0.500000 0.500000 0.711250 Re\n","nsites":4,"nelements":3,"elements":["Be","Zn","Re"],"chemical_system":"Be-Re-Zn","density":10.364655310416811,"density_atomic":0.07657704909224944,"volume":52.23497180181693,"volume_molar":7.86415881962931,"formula_full":"Be1 Zn2 Re1","formula_reduced":"BeZn2Re","formula_anonymous":"ABC2","energy_above_hull":1.4551037249999998,"spacegroup":99}]}