{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=497","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=495","results":[{"id":"jvasp-112384","created_at":"2022-09-04T14:38:40.712731Z","updated_at":"2022-09-04T14:38:40.712759Z","structure_string":"Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n","nsites":16,"nelements":4,"elements":["Al","In","Cu","Se"],"chemical_system":"Al-Cu-In-Se","density":5.338980992156057,"density_atomic":0.04091574880765878,"volume":391.0474686706712,"volume_molar":14.718393126102953,"formula_full":"Al1 In3 Cu4 Se8","formula_reduced":"AlIn3(CuSe2)4","formula_anonymous":"AB3C4D8","energy_above_hull":0.7214482152083332,"spacegroup":1},{"id":"jvasp-112492","created_at":"2022-09-04T14:38:40.712067Z","updated_at":"2022-09-04T14:38:40.712088Z","structure_string":"K2 P2 H4 O8\n1.0\n7.674986 -0.148438 0.000000\n-5.288816 5.563800 0.000000\n-0.000000 -0.000000 4.542016\nK P H O\n2 2 4 8\ndirect\n0.868752 0.131247 0.250000 K\n0.131247 0.868752 0.750001 K\n0.628399 0.371601 0.250000 P\n0.371601 0.628399 0.750001 P\n0.314763 0.314763 -0.000000 H\n0.685237 0.685237 0.500000 H\n0.689669 0.310331 0.750001 H\n0.310331 0.689669 0.250000 H\n0.360081 0.227493 0.163886 O\n0.227493 0.360081 0.836115 O\n0.639919 0.772506 0.663886 O\n0.772507 0.639919 0.336115 O\n0.612243 0.227745 0.506938 O\n0.227744 0.612243 0.493063 O\n0.387757 0.772255 0.006937 O\n0.772255 0.387757 0.993064 O\n","nsites":16,"nelements":4,"elements":["K","P","H","O"],"chemical_system":"H-K-O-P","density":2.3738428248649637,"density_atomic":0.08403899740293116,"volume":190.38780202584786,"volume_molar":7.165888392416681,"formula_full":"K2 P2 H4 O8","formula_reduced":"KP(HO2)2","formula_anonymous":"ABC2D4","energy_above_hull":2.2155409375,"spacegroup":20},{"id":"jvasp-114175","created_at":"2022-09-04T14:38:40.711582Z","updated_at":"2022-09-04T14:38:40.711613Z","structure_string":"Ca1 O3\n1.0\n5.000513 0.627829 0.562719\n-1.946875 -2.665708 0.268791\n1.163841 1.390417 -4.093829\nCa O\n1 3\ndirect\n0.620517 -0.145786 -0.068574 Ca\n0.698280 0.726354 0.365090 O\n0.070477 0.325071 0.454440 O\n0.121344 0.758052 0.818950 O\n","nsites":4,"nelements":2,"elements":["Ca","O"],"chemical_system":"Ca-O","density":3.039576555612896,"density_atomic":0.08313146059899297,"volume":48.116561060981226,"volume_molar":7.244117589909097,"formula_full":"Ca1 O3","formula_reduced":"CaO3","formula_anonymous":"AB3","energy_above_hull":1.79658925,"spacegroup":1},{"id":"jvasp-114503","created_at":"2022-09-04T14:38:40.710014Z","updated_at":"2022-09-04T14:38:40.710033Z","structure_string":"Sr1 B2 O3\n1.0\n2.470141 -4.015490 0.000000\n2.470141 4.015490 0.000000\n0.000000 0.000000 4.186161\nSr B O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Sr\n0.667954 0.332046 0.000000 B\n0.332046 0.667954 0.000000 B\n0.171293 0.828708 0.000000 O\n0.828708 0.171293 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sr","B","O"],"chemical_system":"B-O-Sr","density":3.1441732542266925,"density_atomic":0.07225119498954014,"volume":83.04360918692936,"volume_molar":8.335005062368628,"formula_full":"Sr1 B2 O3","formula_reduced":"SrB2O3","formula_anonymous":"AB2C3","energy_above_hull":2.6375053294444446,"spacegroup":65},{"id":"jvasp-114275","created_at":"2022-09-04T14:38:40.708888Z","updated_at":"2022-09-04T14:38:40.708913Z","structure_string":"Ga1 Mo1 S2\n1.0\n3.162924 -0.000000 0.000000\n-1.581462 2.739172 -0.000000\n-0.000000 -0.000000 8.936698\nGa Mo S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Mo\n0.333332 0.666666 0.678321 S\n0.333332 0.666666 0.321679 S\n","nsites":4,"nelements":3,"elements":["Ga","Mo","S"],"chemical_system":"Ga-Mo-S","density":4.92834100537407,"density_atomic":0.05166243228975478,"volume":77.42570031479613,"volume_molar":11.656711643431965,"formula_full":"Ga1 Mo1 S2","formula_reduced":"GaMoS2","formula_anonymous":"ABC2","energy_above_hull":2.17828205625,"spacegroup":187},{"id":"jvasp-111621","created_at":"2022-09-04T14:38:40.708524Z","updated_at":"2022-09-04T14:38:40.708550Z","structure_string":"Tl4 Hg4 Cl12\n1.0\n4.354419 -0.000000 0.000000\n0.000000 9.104292 0.000000\n0.000000 0.000000 14.092965\nTl Hg Cl\n4 4 12\ndirect\n0.250000 0.444557 0.331634 Tl\n0.250000 0.944557 0.168366 Tl\n0.750000 0.555443 0.668366 Tl\n0.750000 0.055443 0.831634 Tl\n0.250000 0.172881 0.549807 Hg\n0.250000 0.672881 0.950194 Hg\n0.750000 0.827119 0.450194 Hg\n0.750000 0.327119 0.049806 Hg\n0.250000 0.544646 0.104797 Cl\n0.250000 0.044647 0.395204 Cl\n0.750000 0.345768 0.485283 Cl\n0.750000 0.845768 0.014717 Cl\n0.250000 0.654232 0.514717 Cl\n0.250000 0.776185 0.790380 Cl\n0.750000 0.223815 0.209621 Cl\n0.750000 0.723815 0.290379 Cl\n0.750000 0.955353 0.604797 Cl\n0.250000 0.276185 0.709621 Cl\n0.250000 0.154232 0.985283 Cl\n0.750000 0.455353 0.895204 Cl\n","nsites":20,"nelements":3,"elements":["Tl","Hg","Cl"],"chemical_system":"Cl-Hg-Tl","density":6.079019661947355,"density_atomic":0.03579737882753131,"volume":558.70012428447,"volume_molar":16.822853955352862,"formula_full":"Tl4 Hg4 Cl12","formula_reduced":"TlHgCl3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-114334","created_at":"2022-09-04T14:38:40.705553Z","updated_at":"2022-09-04T14:38:40.705572Z","structure_string":"Li1 Y1 P1\n1.0\n3.001161 0.000000 0.000000\n-0.000000 3.001161 0.000000\n-0.000000 0.000000 8.179103\nLi Y P\n1 1 1\ndirect\n0.000000 0.000000 0.396338 Li\n0.000000 0.000000 0.017278 Y\n0.000000 0.000000 0.689399 P\n","nsites":3,"nelements":3,"elements":["Li","Y","P"],"chemical_system":"Li-P-Y","density":2.858608471663827,"density_atomic":0.04072273977049681,"volume":73.66891365628271,"volume_molar":14.788152255814024,"formula_full":"Li1 Y1 P1","formula_reduced":"LiYP","formula_anonymous":"ABC","energy_above_hull":2.0263469833333336,"spacegroup":99},{"id":"jvasp-116064","created_at":"2022-09-04T14:38:40.703358Z","updated_at":"2022-09-04T14:38:40.703386Z","structure_string":"Y1 O1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nY O F\n1 1 1\ndirect\n-0.003874 0.308755 0.000000 Y\n0.232035 -0.005587 0.000000 O\n-0.056289 -0.060375 0.000000 F\n","nsites":3,"nelements":3,"elements":["Y","O","F"],"chemical_system":"F-O-Y","density":1.029732286086609,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Y1 O1 F1","formula_reduced":"YOF","formula_anonymous":"ABC","energy_above_hull":1.4787530775,"spacegroup":6},{"id":"jvasp-112556","created_at":"2022-09-04T14:38:40.701478Z","updated_at":"2022-09-04T14:38:40.701496Z","structure_string":"Na2 Cd4 Si6 O18\n1.0\n6.842048 0.010690 -1.502120\n-0.186487 6.960511 -0.621067\n-0.014842 -0.007443 7.874888\nNa Cd Si O\n2 4 6 18\ndirect\n0.262450 0.350278 0.565957 Na\n0.737550 0.649722 0.434043 Na\n0.589120 0.149714 0.858295 Cd\n0.410880 0.850286 0.141704 Cd\n0.086405 0.137747 0.851068 Cd\n0.913595 0.862253 0.148932 Cd\n0.735871 0.147416 0.456576 Si\n0.264129 0.852584 0.543424 Si\n0.952500 0.348203 0.217170 Si\n0.405054 0.341755 0.220168 Si\n0.594946 0.658245 0.779832 Si\n0.047500 0.651797 0.782830 Si\n0.210565 0.878124 0.336232 O\n0.848442 0.550906 0.175839 O\n0.151558 0.449095 0.824161 O\n0.497487 0.547532 0.191172 O\n0.502513 0.452468 0.808828 O\n0.708745 0.945899 0.332619 O\n0.291255 0.054101 0.667381 O\n0.789435 0.121876 0.663768 O\n0.107953 0.823990 0.939717 O\n0.091358 0.716299 0.595983 O\n0.533298 0.274212 0.408374 O\n0.466702 0.725788 0.591626 O\n0.892047 0.176010 0.060283 O\n0.809234 0.612481 0.732976 O\n0.389586 0.168414 0.065498 O\n0.610414 0.831586 0.934502 O\n0.908642 0.283701 0.404017 O\n0.190766 0.387519 0.267024 O\n","nsites":30,"nelements":4,"elements":["Na","Cd","Si","O"],"chemical_system":"Cd-Na-O-Si","density":4.217666830794068,"density_atomic":0.080029503396316,"volume":374.861753813919,"volume_molar":7.524900823359623,"formula_full":"Na2 Cd4 Si6 O18","formula_reduced":"NaCd2(SiO3)3","formula_anonymous":"AB2C3D9","energy_above_hull":2.050833053333333,"spacegroup":2},{"id":"jvasp-111660","created_at":"2022-09-04T14:38:40.699495Z","updated_at":"2022-09-04T14:38:40.699517Z","structure_string":"Er2 Zr2 O7\n1.0\n5.785667 0.052523 0.603818\n-1.795380 5.500301 0.603818\n-0.017291 -0.024062 5.566454\nEr Zr O\n2 2 7\ndirect\n0.691214 0.308786 0.500000 Er\n0.308786 0.691214 0.500000 Er\n0.742005 0.742004 0.902378 Zr\n0.257995 0.257995 0.097622 Zr\n0.000000 0.000000 0.000000 O\n0.943566 0.588722 0.702071 O\n0.557331 0.557330 0.235454 O\n0.588723 0.943565 0.702071 O\n0.411278 0.056435 0.297929 O\n0.442670 0.442669 0.764546 O\n0.056435 0.411277 0.297929 O\n","nsites":11,"nelements":3,"elements":["Er","Zr","O"],"chemical_system":"Er-O-Zr","density":5.873023648225675,"density_atomic":0.06185589112011388,"volume":177.83269791780745,"volume_molar":9.735759441741775,"formula_full":"Er2 Zr2 O7","formula_reduced":"Er2Zr2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.7709785,"spacegroup":12},{"id":"jvasp-116012","created_at":"2022-09-04T14:38:40.697832Z","updated_at":"2022-09-04T14:38:40.697856Z","structure_string":"Li1 Mn1 F4\n1.0\n3.137586 -3.276753 0.000000\n3.137586 3.276753 0.000000\n0.000000 0.000000 3.094690\nLi Mn F\n1 1 4\ndirect\n0.000000 0.000000 0.499999 Li\n0.500001 0.500001 0.000000 Mn\n0.791117 0.791117 0.000000 F\n0.697101 0.302902 0.499999 F\n0.208886 0.208886 0.000000 F\n0.302902 0.697101 0.499999 F\n","nsites":6,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":3.5978309519026217,"density_atomic":0.09428980963851372,"volume":63.633599675327304,"volume_molar":6.386841571838523,"formula_full":"Li1 Mn1 F4","formula_reduced":"LiMnF4","formula_anonymous":"ABC4","energy_above_hull":0.3455347285632184,"spacegroup":65},{"id":"jvasp-114162","created_at":"2022-09-04T14:38:40.696792Z","updated_at":"2022-09-04T14:38:40.696819Z","structure_string":"Ca1 Ge1 H2\n1.0\n0.000000 2.962132 2.962132\n2.962132 -0.000000 2.962132\n2.962132 2.962132 0.000000\nCa Ge H\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n","nsites":4,"nelements":3,"elements":["Ca","Ge","H"],"chemical_system":"Ca-Ge-H","density":3.66519899449052,"density_atomic":0.07695144369164578,"volume":51.98083113331192,"volume_molar":7.825897047664869,"formula_full":"Ca1 Ge1 H2","formula_reduced":"CaGeH2","formula_anonymous":"ABC2","energy_above_hull":1.3869140925,"spacegroup":225}]}