{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=84","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=82","results":[{"id":"jvasp-117094","created_at":"2022-09-04T14:38:48.521446Z","updated_at":"2022-09-04T14:38:48.521473Z","structure_string":"V6 O2 F22\n1.0\n5.012519 0.004753 -0.005669\n-0.002646 5.334262 -0.872545\n-0.002092 0.137135 13.951158\nV O F\n6 2 22\ndirect\n-0.001308 0.003180 -0.000516 V\n0.451047 0.172721 0.330533 V\n0.010577 0.310655 0.666064 V\n0.498620 0.503285 -0.000156 V\n0.960527 0.672019 0.333350 V\n0.529250 0.780683 0.662559 V\n0.394992 0.136817 0.215608 O\n0.710148 0.523871 0.635179 O\n0.215484 0.632577 0.700726 F\n0.624799 0.526475 0.117937 F\n0.884288 0.699229 0.456165 F\n0.619163 0.874447 0.784590 F\n0.663547 0.844763 0.299291 F\n0.388952 0.815895 0.549866 F\n0.121258 0.982044 0.881138 F\n0.277781 0.474048 0.370985 F\n0.124850 0.654833 0.221598 F\n0.187420 0.322654 0.032547 F\n0.125806 0.314237 0.547989 F\n0.780194 0.372691 0.297974 F\n0.391264 0.478207 0.879406 F\n0.312550 0.817559 0.031862 F\n0.891909 0.367533 0.785712 F\n0.649950 0.185101 0.441674 F\n0.893582 0.026842 0.120165 F\n0.306479 0.137711 0.699236 F\n0.687140 0.184601 0.967690 F\n0.815512 0.009475 0.633065 F\n0.812335 0.688715 0.966830 F\n0.171880 0.987126 0.370944 F\n","nsites":30,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.3582252685301364,"density_atomic":0.08029393657663375,"volume":373.6272161892018,"volume_molar":7.500118958861081,"formula_full":"V6 O2 F22","formula_reduced":"V3OF11","formula_anonymous":"AB3C11","energy_above_hull":0.9595666138333332,"spacegroup":1},{"id":"jvasp-120385","created_at":"2022-09-04T14:38:48.791312Z","updated_at":"2022-09-04T14:38:48.791335Z","structure_string":"Au1 Br3\n1.0\n7.326739 -1.364499 -1.403514\n4.631630 -4.649448 -1.302090\n0.686804 -3.685441 -5.053460\nAu Br\n1 3\ndirect\n0.094007 0.648585 0.788629 Au\n0.873087 0.027177 0.973147 Br\n0.684598 0.479193 0.242166 Br\n0.308505 0.207030 0.659780 Br\n","nsites":4,"nelements":2,"elements":["Au","Br"],"chemical_system":"Au-Br","density":5.766515636997218,"density_atomic":0.03180991359595588,"volume":125.74696212027862,"volume_molar":18.93164765076765,"formula_full":"Au1 Br3","formula_reduced":"AuBr3","formula_anonymous":"AB3","energy_above_hull":0.0398649712499999,"spacegroup":1},{"id":"jvasp-117798","created_at":"2022-09-04T14:38:48.585582Z","updated_at":"2022-09-04T14:38:48.585601Z","structure_string":"I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n","nsites":4,"nelements":2,"elements":["I","Br"],"chemical_system":"Br-I","density":4.122216822402153,"density_atomic":0.02708505698756472,"volume":147.68290876539334,"volume_molar":22.234181610785914,"formula_full":"I1 Br3","formula_reduced":"IBr3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":1},{"id":"jvasp-117792","created_at":"2022-09-04T14:38:48.505583Z","updated_at":"2022-09-04T14:38:48.505608Z","structure_string":"I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n","nsites":3,"nelements":2,"elements":["I","Br"],"chemical_system":"Br-I","density":4.9993550344370075,"density_atomic":0.027065315240995973,"volume":110.84297276005434,"volume_molar":22.250399473929765,"formula_full":"I2 Br1","formula_reduced":"I2Br","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":1},{"id":"jvasp-117135","created_at":"2022-09-04T14:38:48.601790Z","updated_at":"2022-09-04T14:38:48.601815Z","structure_string":"Re2 Cl5 O4\n1.0\n5.093123 -0.221889 -2.184530\n-0.940923 5.651314 -1.650371\n-0.730905 0.062338 8.674989\nRe Cl O\n2 5 4\ndirect\n0.969734 0.461405 0.437850 Re\n0.903692 -0.002188 -0.001246 Re\n0.249384 -0.033826 0.272382 Cl\n0.519034 0.109850 0.799428 Cl\n0.597521 0.725630 0.006962 Cl\n0.177187 0.362613 0.071934 Cl\n-0.096257 0.296987 0.619407 Cl\n0.833158 0.711150 0.433318 O\n0.323054 0.543432 0.519168 O\n0.806049 0.256019 0.214064 O\n-0.019663 0.825422 0.847630 O\n","nsites":11,"nelements":3,"elements":["Re","Cl","O"],"chemical_system":"Cl-O-Re","density":4.25945019237295,"density_atomic":0.045978793211762944,"volume":239.24072885814292,"volume_molar":13.097648588261189,"formula_full":"Re2 Cl5 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0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n","nsites":25,"nelements":3,"elements":["In","Ga","S"],"chemical_system":"Ga-In-S","density":3.976254699223959,"density_atomic":0.04264783551915896,"volume":586.1962206445176,"volume_molar":14.12062461480521,"formula_full":"In5 Ga5 S15","formula_reduced":"InGaS3","formula_anonymous":"ABC3","energy_above_hull":0.883934459,"spacegroup":1},{"id":"jvasp-122017","created_at":"2022-09-04T14:38:54.468009Z","updated_at":"2022-09-04T14:38:54.468037Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n4.891269 -0.027549 0.467870\n0.719490 4.699467 1.471990\n0.018553 0.011913 8.545450\nLi Mn Co O\n7 2 3 12\ndirect\n0.244846 0.419006 0.090502 Li\n0.748360 0.586940 0.912385 Li\n0.251353 0.747495 0.742010 Li\n0.235763 0.082409 0.419059 Li\n0.761101 0.249205 0.262298 Li\n0.762795 0.915138 0.573852 Li\n0.000450 0.658876 0.341318 Li\n0.999196 0.000241 0.000700 Mn\n0.499900 0.827105 0.175207 Mn\n0.000331 0.335218 0.663262 Co\n0.499847 0.500816 0.498059 Co\n0.499633 0.166358 0.832914 Co\n0.863089 0.657184 0.116171 O\n0.135620 0.037101 0.192580 O\n0.633690 0.186133 0.037244 O\n0.129398 0.350683 0.870272 O\n0.135827 0.680001 0.547001 O\n0.605942 0.862376 0.368642 O\n0.630224 0.509752 0.702840 O\n0.365804 0.812505 0.963268 O\n0.869601 0.980974 0.797296 O\n0.369599 0.154889 0.631922 O\n0.392670 0.480558 0.290564 O\n0.864957 0.299037 0.470637 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.456185399799469,"density_atomic":0.12215304502026376,"volume":196.47484019754629,"volume_molar":4.929996431117209,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy_above_hull":2.6894591326149424,"spacegroup":1},{"id":"jvasp-120601","created_at":"2022-09-04T14:38:51.592668Z","updated_at":"2022-09-04T14:38:51.592689Z","structure_string":"Li1 V4 O5 F7\n1.0\n5.009992 0.012329 -0.019900\n-0.276342 5.277519 -0.312218\n-0.025035 -0.053118 7.313621\nLi V O F\n1 4 5 7\ndirect\n0.514476 0.075100 0.194416 Li\n0.986494 0.969564 0.495691 V\n0.495631 0.520019 0.016573 V\n0.465415 0.487014 0.497106 V\n0.007173 0.006752 0.987778 V\n0.202606 0.293992 0.546325 O\n0.409193 0.506383 0.253769 O\n0.293314 0.210076 0.962054 O\n0.810697 0.696399 0.455850 O\n0.704277 0.812306 0.050561 O\n0.192950 0.696572 0.929624 F\n0.867873 0.020952 0.744033 F\n0.799988 0.307125 0.068557 F\n0.688362 0.182297 0.425070 F\n0.611499 0.497164 0.749909 F\n0.313510 0.807345 0.565900 F\n0.144982 0.984642 0.249496 F\n","nsites":17,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.639468158173515,"density_atomic":0.0879400364158167,"volume":193.31354287388513,"volume_molar":6.848008035299007,"formula_full":"Li1 V4 O5 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-0.089428\n-0.004007 0.039701 13.076930\nV O F\n6 9 9\ndirect\n0.996466 0.972479 0.486417 V\n0.948799 0.977209 0.997986 V\n0.643285 0.324994 0.156709 V\n0.381488 0.677062 0.328924 V\n0.715376 0.349486 0.664249 V\n0.324186 0.637920 0.824739 V\n0.668553 0.923339 0.417972 O\n0.655721 0.746863 0.919164 O\n0.921809 0.264034 0.588007 O\n0.393971 0.417155 0.750953 O\n0.596774 0.590217 0.252318 O\n0.766188 0.084134 0.086129 O\n0.980825 0.589177 0.753550 O\n0.354982 0.264357 0.082041 O\n0.077943 0.746809 0.418346 O\n0.722900 0.665437 0.583820 F\n0.002544 0.405804 0.255239 F\n0.395191 0.997327 0.249593 F\n0.320760 0.070079 0.589758 F\n0.052733 0.337784 0.919473 F\n0.280395 0.338005 0.421285 F\n0.590977 0.007064 0.752514 F\n0.254950 0.941345 0.917961 F\n0.953190 0.671919 0.082854 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":3.535156188360067,"density_atomic":0.08232628639837528,"volume":291.52292724421545,"volume_molar":7.314967094299602,"formula_full":"V6 O9 F9","formula_reduced":"V2(OF)3","formula_anonymous":"A2B3C3","energy_above_hull":1.9200212184375,"spacegroup":1},{"id":"jvasp-118800","created_at":"2022-09-04T14:38:49.205888Z","updated_at":"2022-09-04T14:38:49.205914Z","structure_string":"Na1 Se3\n1.0\n4.152559 0.444549 -0.355478\n2.135309 -7.036819 -0.366538\n-0.730278 2.725198 -3.433161\nNa Se\n1 3\ndirect\n0.435305 0.412251 0.003653 Na\n0.109948 -0.012405 0.103929 Se\n0.434781 0.911165 0.490213 Se\n0.936199 0.397361 0.488911 Se\n","nsites":4,"nelements":2,"elements":["Na","Se"],"chemical_system":"Na-Se","density":4.010304963754417,"density_atomic":0.03717342122173563,"volume":107.60376281054177,"volume_molar":16.200125148768393,"formula_full":"Na1 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0.305982 O\n0.193201 0.186272 0.501871 O\n0.214278 0.193166 0.896470 O\n0.286635 0.685704 0.402706 O\n0.807188 0.824903 0.094957 F\n0.213390 0.195550 0.700921 F\n0.200186 0.185580 0.091791 F\n0.717802 0.312027 0.798093 F\n0.788551 0.806176 0.502416 F\n0.783072 0.796837 0.306441 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":5.225816102554415,"density_atomic":0.10531953174012476,"volume":284.8474495122595,"volume_molar":5.717971453632734,"formula_full":"Fe10 O14 F6","formula_reduced":"Fe5O7F3","formula_anonymous":"A3B5C7","energy_above_hull":2.6747455231666666,"spacegroup":1}]}