{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3419","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3417","results":[{"id":"jvasp-28647","created_at":"2022-09-04T14:36:45.686795Z","updated_at":"2022-09-04T14:36:45.686815Z","structure_string":"Mo2 W2 Se2 S6\n1.0\n3.224996 -0.000012 0.000003\n-1.612508 2.792911 -0.000021\n0.000033 -0.000263 34.073212\nMo W Se S\n2 2 2 6\ndirect\n0.333322 0.666640 0.093392 Mo\n0.333331 0.666655 0.472004 Mo\n0.666666 0.333337 0.282673 W\n0.666682 0.333370 0.654844 W\n0.333339 0.666685 0.333193 Se\n0.333325 0.666652 0.232156 Se\n0.333336 0.666677 0.700721 S\n0.666643 0.333284 0.047767 S\n0.666665 0.333320 0.426325 S\n0.666669 0.333331 0.139075 S\n0.666666 0.333329 0.517666 S\n0.333361 0.666725 0.608933 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.923002134554997,"density_atomic":0.03910054644243599,"volume":306.90108174489217,"volume_molar":15.401679280533394,"formula_full":"Mo2 W2 Se2 S6","formula_reduced":"MoWSeS3","formula_anonymous":"ABCD3","energy_above_hull":3.754256544444444,"spacegroup":156},{"id":"jvasp-11416","created_at":"2022-09-04T14:36:45.755861Z","updated_at":"2022-09-04T14:36:45.755881Z","structure_string":"Li6 Au2 S4\n1.0\n5.264650 -0.000000 -2.351246\n-1.251627 5.515292 -2.802506\n-0.011113 -0.034536 7.044752\nLi Au S\n6 2 4\ndirect\n0.774159 0.524158 0.548317 Li\n0.225841 0.975840 0.451681 Li\n0.225841 0.475841 0.451681 Li\n0.774159 0.024158 0.548317 Li\n0.500000 0.750000 -0.000001 Li\n0.500000 0.250000 -0.000001 Li\n-0.000000 0.500000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.155118 0.357804 0.715609 S\n0.439508 0.142195 0.284390 S\n0.560491 0.857803 0.715608 S\n0.844882 0.642195 0.284389 S\n","nsites":12,"nelements":3,"elements":["Li","Au","S"],"chemical_system":"Au-Li-S","density":4.594171159671589,"density_atomic":0.05888220992981678,"volume":203.7966987703605,"volume_molar":10.22743672015358,"formula_full":"Li6 Au2 S4","formula_reduced":"Li3AuS2","formula_anonymous":"AB2C3","energy_above_hull":0.9742929283333336,"spacegroup":72},{"id":"jvasp-36442","created_at":"2022-09-04T14:36:46.190099Z","updated_at":"2022-09-04T14:36:46.190120Z","structure_string":"Ba4 Br4 Cl4\n1.0\n4.823546 -0.000000 0.000000\n-0.000000 8.180288 0.000000\n0.000000 0.000000 9.555886\nBa Br Cl\n4 4 4\ndirect\n0.750001 0.736669 0.122165 Ba\n0.250000 0.263331 0.877836 Ba\n0.750001 0.236669 0.377835 Ba\n0.250000 0.763331 0.622165 Ba\n0.750001 0.970277 0.827945 Br\n0.250000 0.029723 0.172056 Br\n0.750001 0.470277 0.672056 Br\n0.250000 0.529724 0.327945 Br\n0.750001 0.856367 0.432513 Cl\n0.250000 0.143633 0.567488 Cl\n0.750001 0.356367 0.067488 Cl\n0.250000 0.643633 0.932513 Cl\n","nsites":12,"nelements":3,"elements":["Ba","Br","Cl"],"chemical_system":"Ba-Br-Cl","density":4.451238384577168,"density_atomic":0.03182550234779681,"volume":377.05610641620325,"volume_molar":18.92237456046596,"formula_full":"Ba4 Br4 Cl4","formula_reduced":"BaBrCl","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-22441","created_at":"2022-09-04T14:36:45.783922Z","updated_at":"2022-09-04T14:36:45.783946Z","structure_string":"Na3 Cd2 Ir1 O6\n1.0\n5.658630 0.004056 -0.986250\n-3.069938 4.753482 -0.986250\n-0.025146 -0.046213 5.662627\nNa Cd Ir O\n3 2 1 6\ndirect\n0.500000 0.500001 0.500000 Na\n0.167549 0.832451 0.500000 Na\n0.832451 0.167550 0.500000 Na\n0.332778 0.667221 -0.000000 Cd\n0.667221 0.332779 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n0.781770 0.781771 0.208372 O\n0.218229 0.218230 0.791629 O\n0.071456 0.362608 0.217865 O\n0.637392 0.928544 0.782135 O\n0.362608 0.071457 0.217866 O\n0.928543 0.637393 0.782135 O\n","nsites":12,"nelements":4,"elements":["Na","Cd","Ir","O"],"chemical_system":"Cd-Ir-Na-O","density":6.3636381121622305,"density_atomic":0.07901528758269873,"volume":151.8693453775081,"volume_molar":7.621488124936741,"formula_full":"Na3 Cd2 Ir1 O6","formula_reduced":"Na3Cd2IrO6","formula_anonymous":"AB2C3D6","energy_above_hull":1.22519905,"spacegroup":12},{"id":"jvasp-49912","created_at":"2022-09-04T14:36:45.894771Z","updated_at":"2022-09-04T14:36:45.894797Z","structure_string":"Sb2 Rh2 O8\n1.0\n0.000000 4.669634 3.163079\n0.000000 4.669634 -3.163079\n-4.669634 0.000000 -3.163079\nSb Rh O\n2 2 8\ndirect\n0.253298 0.246702 0.500000 Sb\n0.003298 0.996701 0.000000 Sb\n0.746581 0.753417 0.500000 Rh\n0.496583 0.503417 0.000000 Rh\n0.561151 0.247797 0.808948 O\n0.054719 0.752143 0.806863 O\n0.497856 0.809006 0.693136 O\n0.002202 0.306748 0.691050 O\n0.497856 0.195279 0.306863 O\n0.002202 0.688848 0.308949 O\n0.440994 0.752143 0.193136 O\n0.943252 0.247797 0.191051 O\n","nsites":12,"nelements":3,"elements":["Sb","Rh","O"],"chemical_system":"O-Rh-Sb","density":6.949677394144775,"density_atomic":0.0869912410389682,"volume":137.94492246207332,"volume_molar":6.922697834949094,"formula_full":"Sb2 Rh2 O8","formula_reduced":"SbRhO4","formula_anonymous":"ABC4","energy_above_hull":2.405385516666667,"spacegroup":109},{"id":"jvasp-59605","created_at":"2022-09-04T14:36:41.415071Z","updated_at":"2022-09-04T14:36:41.415100Z","structure_string":"Er4 Mn4 Si4\n1.0\n4.091643 -0.000000 0.000000\n0.000000 6.895521 0.000000\n0.000000 0.000000 7.418129\nEr Mn Si\n4 4 4\ndirect\n0.250000 0.005082 0.812136 Er\n0.749999 0.994918 0.187865 Er\n0.250000 0.505082 0.687865 Er\n0.749999 0.494918 0.312136 Er\n0.749999 0.857178 0.561445 Mn\n0.250000 0.142822 0.438556 Mn\n0.749999 0.357178 0.938556 Mn\n0.250000 0.642822 0.061444 Mn\n0.250000 0.290148 0.108782 Si\n0.749999 0.709852 0.891218 Si\n0.250000 0.790148 0.391218 Si\n0.749999 0.209852 0.608782 Si\n","nsites":12,"nelements":3,"elements":["Er","Mn","Si"],"chemical_system":"Er-Mn-Si","density":7.942924791300499,"density_atomic":0.0573352941842214,"volume":209.29516750090008,"volume_molar":10.503374658984981,"formula_full":"Er4 Mn4 Si4","formula_reduced":"ErMnSi","formula_anonymous":"ABC","energy_above_hull":2.4221952804597704,"spacegroup":62},{"id":"jvasp-52952","created_at":"2022-09-04T14:36:41.481165Z","updated_at":"2022-09-04T14:36:41.481198Z","structure_string":"Pb2 W2 O8\n1.0\n5.508428 0.017581 0.006524\n-0.017461 5.508437 -0.022295\n-2.753191 -2.738911 6.052653\nPb W O\n2 2 8\ndirect\n0.624481 0.873221 0.248208 Pb\n0.374464 0.123234 0.748203 Pb\n0.124501 0.373206 0.248211 W\n0.874474 0.623231 0.748210 W\n0.274441 0.434101 0.082490 O\n0.063636 0.688882 0.413974 O\n0.647873 0.773158 0.582441 O\n0.724491 0.562369 0.913919 O\n0.351102 0.223230 0.413939 O\n0.190165 0.849872 0.913990 O\n0.808783 0.146622 0.082452 O\n0.935377 0.307541 0.582482 O\n","nsites":12,"nelements":3,"elements":["Pb","W","O"],"chemical_system":"O-Pb-W","density":8.239078758856323,"density_atomic":0.06542346219614215,"volume":183.4204366015287,"volume_molar":9.204864062292184,"formula_full":"Pb2 W2 O8","formula_reduced":"PbWO4","formula_anonymous":"ABC4","energy_above_hull":2.943234136666667,"spacegroup":88},{"id":"jvasp-42175","created_at":"2022-09-04T14:36:46.143801Z","updated_at":"2022-09-04T14:36:46.143811Z","structure_string":"Li2 V2 F8\n1.0\n0.000000 5.499508 0.000895\n4.689656 0.000000 0.000000\n0.000000 -2.251588 -5.115477\nLi V F\n2 2 8\ndirect\n0.500000 0.000000 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.139527 0.701415 0.845288 F\n0.139527 0.798587 0.345288 F\n0.335963 0.313152 0.636421 F\n0.335963 0.186848 0.136421 F\n0.664037 0.813152 0.863581 F\n0.664037 0.686849 0.363581 F\n0.860474 0.201414 0.654714 F\n0.860474 0.298586 0.154714 F\n","nsites":12,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.370251692304916,"density_atomic":0.09096229194385,"volume":131.9227972774418,"volume_molar":6.620480455480827,"formula_full":"Li2 V2 F8","formula_reduced":"LiVF4","formula_anonymous":"ABC4","energy_above_hull":0.3156742216666666,"spacegroup":14},{"id":"jvasp-11528","created_at":"2022-09-04T14:36:41.348055Z","updated_at":"2022-09-04T14:36:41.348077Z","structure_string":"Sn4 O8\n1.0\n3.234467 0.001130 0.000194\n-1.614672 -7.608289 -0.003327\n-1.616778 0.035877 -7.599372\nSn O\n4 8\ndirect\n0.652056 0.816295 0.482758 Sn\n0.168976 0.517401 0.815494 Sn\n0.834838 0.482236 0.182368 Sn\n0.351746 0.183343 0.515101 Sn\n0.841436 0.297474 0.380339 O\n0.459938 0.616036 0.298765 O\n0.543875 0.383592 0.699110 O\n0.162381 0.702173 0.617532 O\n0.157523 0.946475 0.363516 O\n0.794151 0.635521 0.947714 O\n0.846276 0.053162 0.634338 O\n0.209664 0.364115 0.050152 O\n","nsites":12,"nelements":2,"elements":["Sn","O"],"chemical_system":"O-Sn","density":5.353245120130995,"density_atomic":0.06417275364282522,"volume":186.9952482760828,"volume_molar":9.384264221414318,"formula_full":"Sn4 O8","formula_reduced":"SnO2","formula_anonymous":"AB2","energy_above_hull":0.9928829,"spacegroup":87},{"id":"jvasp-32778","created_at":"2022-09-04T14:36:46.193638Z","updated_at":"2022-09-04T14:36:46.193658Z","structure_string":"Bi4 Se4 Br4\n1.0\n4.149688 -0.000000 0.000000\n-0.000000 8.295876 0.000000\n0.000000 0.000000 10.589071\nBi Se Br\n4 4 4\ndirect\n0.250000 0.866637 0.133380 Bi\n0.250000 0.366637 0.366620 Bi\n0.750000 0.633364 0.633380 Bi\n0.750000 0.133363 0.866620 Bi\n0.750000 0.316556 0.549251 Se\n0.250000 0.183444 0.049251 Se\n0.250000 0.683444 0.450749 Se\n0.750000 0.816556 0.950749 Se\n0.750000 0.020281 0.313280 Br\n0.750000 0.520281 0.186720 Br\n0.250000 0.979720 0.686720 Br\n0.250000 0.479720 0.813280 Br\n","nsites":12,"nelements":3,"elements":["Bi","Se","Br"],"chemical_system":"Bi-Br-Se","density":6.702513238669137,"density_atomic":0.03291892836996657,"volume":364.53191504703244,"volume_molar":18.29385419937993,"formula_full":"Bi4 Se4 Br4","formula_reduced":"BiSeBr","formula_anonymous":"ABC","energy_above_hull":0.4629439238888888,"spacegroup":62},{"id":"jvasp-48377","created_at":"2022-09-04T14:36:46.325826Z","updated_at":"2022-09-04T14:36:46.325853Z","structure_string":"Co4 O2 F6\n1.0\n-0.120215 4.613947 3.013126\n-0.120215 4.613947 -3.013126\n-4.613947 0.120215 -3.013126\nCo O F\n4 2 6\ndirect\n0.250000 0.250000 0.500000 Co\n0.749999 0.750001 0.499999 Co\n-0.000001 0.960324 0.039677 Co\n0.499999 0.539678 0.960322 Co\n0.499999 0.827195 0.672806 O\n-0.000001 0.672808 0.327193 O\n0.046378 0.750001 0.796379 F\n0.546378 0.250000 0.796379 F\n-0.000001 0.277998 0.722003 F\n0.500000 0.222003 0.277997 F\n0.953621 0.250001 0.203620 F\n0.453621 0.750001 0.203620 F\n","nsites":12,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":4.944230567436954,"density_atomic":0.09360168656673921,"volume":128.20281813451987,"volume_molar":6.433795138622995,"formula_full":"Co4 O2 F6","formula_reduced":"Co2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.3076143579166668,"spacegroup":74},{"id":"jvasp-4828","created_at":"2022-09-04T14:36:39.763833Z","updated_at":"2022-09-04T14:36:39.763858Z","structure_string":"Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n","nsites":12,"nelements":3,"elements":["Al","P","O"],"chemical_system":"Al-O-P","density":3.431160932461664,"density_atomic":0.10166023445597815,"volume":118.04025501432766,"volume_molar":5.923791925354808,"formula_full":"Al2 P2 O8","formula_reduced":"AlPO4","formula_anonymous":"ABC4","energy_above_hull":2.1879737166666677,"spacegroup":63}]}