{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4553","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4551","results":[{"id":"jvasp-45864","created_at":"2022-09-04T14:38:04.117107Z","updated_at":"2022-09-04T14:38:04.117132Z","structure_string":"Li3 Fe2 Ni2 O8\n1.0\n5.588299 0.007087 0.014548\n-0.007050 5.733389 -0.041048\n-2.774511 -2.840199 4.184370\nLi Fe Ni O\n3 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.709348 0.226040 0.452140 O\n0.255917 0.779120 0.006689 O\n0.243703 0.231296 0.462600 O\n0.744079 0.772421 0.993288 O\n0.255921 0.227580 0.006712 O\n0.756298 0.768704 0.537400 O\n0.744083 0.220880 -0.006689 O\n0.290653 0.773961 0.547860 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O","density":4.695240459676278,"density_atomic":0.11223514055487248,"volume":133.64798160221847,"volume_molar":5.365646383323,"formula_full":"Li3 Fe2 Ni2 O8","formula_reduced":"Li3Fe2(NiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.4063735866666667,"spacegroup":12},{"id":"jvasp-22977","created_at":"2022-09-04T14:37:33.415841Z","updated_at":"2022-09-04T14:37:33.415860Z","structure_string":"K4 Hg6 Ge4 S16\n1.0\n6.416210 -0.086616 -0.000000\n-0.990436 6.339896 0.000000\n-0.000000 -0.000000 19.368478\nK Hg Ge S\n4 6 4 16\ndirect\n0.049300 0.635212 0.618465 K\n0.635211 0.049300 0.381535 K\n0.549300 0.135211 0.881535 K\n0.135211 0.549301 0.118465 K\n0.486555 0.486556 0.500000 Hg\n0.117254 0.199701 0.743780 Hg\n0.199701 0.117254 0.256220 Hg\n0.617253 0.699701 0.756220 Hg\n0.699700 0.617254 0.243780 Hg\n0.986555 0.986556 0.000000 Hg\n0.554031 0.124109 0.632729 Ge\n0.124109 0.554032 0.367271 Ge\n0.054031 0.624109 0.867271 Ge\n0.624109 0.054031 0.132729 Ge\n0.276028 0.696170 0.272943 S\n0.780846 0.593889 0.367952 S\n0.776028 0.196169 0.227057 S\n0.722643 0.253994 0.534442 S\n0.253994 0.722644 0.465558 S\n0.222643 0.753995 0.965558 S\n0.753994 0.222643 0.034442 S\n0.212011 0.164957 0.621617 S\n0.164957 0.212011 0.378383 S\n0.712010 0.664957 0.878383 S\n0.664957 0.712011 0.121617 S\n0.093889 0.280846 0.867952 S\n0.280846 0.093889 0.132049 S\n0.593889 0.780846 0.632049 S\n0.196169 0.776029 0.772944 S\n0.696169 0.276028 0.727057 S\n","nsites":30,"nelements":4,"elements":["K","Hg","Ge","S"],"chemical_system":"Ge-Hg-K-S","density":4.569548914514871,"density_atomic":0.038157676687037054,"volume":786.2113892849146,"volume_molar":15.78225217796304,"formula_full":"K4 Hg6 Ge4 S16","formula_reduced":"K2Hg3(GeS4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":0.7796854466666668,"spacegroup":41},{"id":"jvasp-42971","created_at":"2022-09-04T14:37:27.224569Z","updated_at":"2022-09-04T14:37:27.224581Z","structure_string":"Li3 Si2 Ni2 O8\n1.0\n4.940719 -0.005086 0.003592\n0.041129 5.300170 0.035650\n0.018748 0.043212 6.320175\nLi Si Ni O\n3 2 2 8\ndirect\n0.496278 0.173140 0.998582 Li\n0.997753 0.826464 0.498789 Li\n0.003017 0.340329 0.246057 Li\n0.991331 0.324172 0.748441 Si\n0.493797 0.677405 0.245551 Si\n0.991423 0.826865 0.978527 Ni\n0.505279 0.165570 0.497344 Ni\n0.103571 0.184189 0.968810 O\n0.661280 0.283446 0.745716 O\n0.069709 0.623804 0.747220 O\n0.110411 0.189182 0.530065 O\n0.603891 0.827765 0.454460 O\n0.598723 0.378842 0.254827 O\n0.158346 0.686576 0.236912 O\n0.615335 0.825929 0.036521 O\n","nsites":15,"nelements":4,"elements":["Li","Si","Ni","O"],"chemical_system":"Li-Ni-O-Si","density":3.234596962781703,"density_atomic":0.09063577104904597,"volume":165.49757150389345,"volume_molar":6.644331140230742,"formula_full":"Li3 Si2 Ni2 O8","formula_reduced":"Li3Si2(NiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.3233853333333334,"spacegroup":1},{"id":"jvasp-112823","created_at":"2022-09-04T14:38:42.842009Z","updated_at":"2022-09-04T14:38:42.842033Z","structure_string":"Li3 Fe2 Co2 O8\n1.0\n4.896932 -0.045092 2.823791\n-1.617481 4.639925 2.850647\n0.000304 0.035879 5.702982\nLi Fe Co O\n3 2 2 8\ndirect\n0.000000 0.500001 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.000000 Co\n-0.000000 0.000000 0.500000 Co\n0.240140 0.216088 0.018898 O\n0.237585 0.762423 0.019888 O\n0.216084 0.240145 0.524853 O\n0.240717 0.759267 0.483275 O\n0.759282 0.240734 0.516724 O\n0.783915 0.759857 0.475146 O\n0.762415 0.237578 0.980112 O\n0.759859 0.783913 0.981101 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.889728610592768,"density_atomic":0.11673603920402663,"volume":128.49502263635648,"volume_molar":5.158767421836833,"formula_full":"Li3 Fe2 Co2 O8","formula_reduced":"Li3Fe2(CoO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.7716640533333337,"spacegroup":12},{"id":"jvasp-47882","created_at":"2022-09-04T14:36:46.569617Z","updated_at":"2022-09-04T14:36:46.569638Z","structure_string":"Li3 Co2 Si2 O8\n1.0\n4.977475 -0.013432 -0.015946\n0.042676 5.279867 0.011648\n0.028592 0.044279 6.350767\nLi Co Si O\n3 2 2 8\ndirect\n0.497515 0.174208 0.996133 Li\n0.996569 0.823863 0.499610 Li\n0.001835 0.340355 0.246060 Li\n0.990733 0.828436 0.982866 Co\n0.499762 0.167394 0.497545 Co\n0.991175 0.324590 0.747268 Si\n0.495367 0.678052 0.245695 Si\n0.104904 0.182515 0.965900 O\n0.664939 0.279295 0.744657 O\n0.067841 0.625570 0.748365 O\n0.111002 0.190122 0.529507 O\n0.605298 0.828244 0.454181 O\n0.598644 0.378152 0.254007 O\n0.161429 0.686662 0.237484 O\n0.614922 0.826442 0.037871 O\n","nsites":15,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":3.212108389707184,"density_atomic":0.08987192477855993,"volume":166.90418099934183,"volume_molar":6.700803142737026,"formula_full":"Li3 Co2 Si2 O8","formula_reduced":"Li3Co2(SiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.690202466666667,"spacegroup":1},{"id":"jvasp-112993","created_at":"2022-09-04T14:38:45.721010Z","updated_at":"2022-09-04T14:38:45.721041Z","structure_string":"Zr3 Tl2 Cu2 Se8\n1.0\n6.924392 -0.028976 2.990662\n5.870316 3.672523 2.990662\n-0.151325 -0.043093 14.447705\nZr Tl Cu Se\n3 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.843146 0.843143 0.380182 Zr\n0.156856 0.156855 0.619817 Zr\n0.834305 0.834302 0.799844 Tl\n0.165697 0.165697 0.200155 Tl\n0.457177 0.457175 0.197613 Cu\n0.542825 0.542823 0.802386 Cu\n0.853070 0.853067 0.189526 Se\n0.146932 0.146932 0.810473 Se\n0.801261 0.801259 0.580787 Se\n0.198741 0.198740 0.419213 Se\n0.482091 0.482089 0.355064 Se\n0.517911 0.517910 0.644935 Se\n0.609941 0.609939 0.042507 Se\n0.390061 0.390060 0.957492 Se\n","nsites":15,"nelements":4,"elements":["Zr","Tl","Cu","Se"],"chemical_system":"Cu-Se-Tl-Zr","density":6.438948262536339,"density_atomic":0.04035800124917709,"volume":371.67351047410585,"volume_molar":14.921801312256,"formula_full":"Zr3 Tl2 Cu2 Se8","formula_reduced":"Zr3Tl2(CuSe4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":1.7484864355555556,"spacegroup":12},{"id":"jvasp-111962","created_at":"2022-09-04T14:38:41.535871Z","updated_at":"2022-09-04T14:38:41.535889Z","structure_string":"Li3 Mn2 Co2 O8\n1.0\n2.838060 0.018268 -0.032808\n-0.031932 4.878586 -0.069299\n0.105763 0.048409 9.618496\nLi Mn Co O\n3 2 2 8\ndirect\n0.616227 0.798058 0.240594 Li\n0.117964 0.949510 0.742970 Li\n0.116416 0.293979 0.240348 Li\n0.616065 0.457113 0.991030 Mn\n0.117412 0.302165 0.503498 Mn\n0.617399 0.798959 0.495130 Co\n0.116056 0.958181 0.001813 Co\n0.116253 0.621520 0.109504 O\n0.617593 0.126107 0.606195 O\n0.617175 0.460154 0.386275 O\n0.615903 0.794159 0.894777 O\n0.616235 0.131081 0.110460 O\n0.117566 0.640861 0.598707 O\n0.117172 0.970038 0.385847 O\n0.115925 0.280967 0.893354 O\n","nsites":15,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.694151423561262,"density_atomic":0.11260671439942727,"volume":133.20697686634833,"volume_molar":5.347941099354755,"formula_full":"Li3 Mn2 Co2 O8","formula_reduced":"Li3Mn2(CoO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.8964442855172416,"spacegroup":6},{"id":"jvasp-48339","created_at":"2022-09-04T14:35:53.455137Z","updated_at":"2022-09-04T14:35:53.455163Z","structure_string":"Li3 Co2 Ge2 O8\n1.0\n5.062238 -0.000327 -0.031762\n0.011711 5.436881 0.010284\n0.037128 0.038009 6.436293\nLi Co Ge O\n3 2 2 8\ndirect\n0.498967 0.168383 0.003070 Li\n0.001926 0.335750 0.253002 Li\n0.000084 0.830796 0.505664 Li\n0.993085 0.833776 0.991761 Co\n0.502722 0.161488 0.502401 Co\n0.994224 0.332096 0.754286 Ge\n0.497111 0.672645 0.253289 Ge\n0.646236 0.284634 0.750110 O\n0.615367 0.833735 0.474287 O\n0.606676 0.358021 0.260572 O\n0.622097 0.834155 0.033899 O\n0.141459 0.681720 0.244528 O\n0.110260 0.175886 0.986528 O\n0.080297 0.647528 0.756103 O\n0.119217 0.185559 0.523261 O\n","nsites":15,"nelements":4,"elements":["Li","Co","Ge","O"],"chemical_system":"Co-Ge-Li-O","density":3.861623241243272,"density_atomic":0.08467440877221123,"volume":177.14915542371944,"volume_molar":7.11211432984504,"formula_full":"Li3 Co2 Ge2 O8","formula_reduced":"Li3Co2(GeO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.33510478,"spacegroup":1},{"id":"jvasp-88927","created_at":"2022-09-04T14:35:56.042545Z","updated_at":"2022-09-04T14:35:56.042571Z","structure_string":"K2 Hg3 Ge2 S8\n1.0\n6.412299 0.101927 0.351317\n0.957603 6.341212 0.351317\n-0.060631 -0.053006 9.743263\nK Hg Ge S\n2 3 2 8\ndirect\n0.614408 0.933878 0.237751 K\n0.066122 0.385592 0.762249 K\n0.481000 0.519000 0.000000 Hg\n0.162940 0.837060 0.500000 Hg\n0.650718 0.349281 0.500000 Hg\n0.572493 0.897208 0.733818 Ge\n0.102791 0.427507 0.266182 Ge\n0.246449 0.277193 0.069098 S\n0.722807 0.753551 0.930902 S\n0.229900 0.853477 0.746563 S\n0.146523 0.770099 0.253438 S\n0.760079 0.389701 0.256327 S\n0.236519 0.267040 0.453995 S\n0.732959 0.763481 0.546006 S\n0.610299 0.239921 0.743674 S\n","nsites":15,"nelements":4,"elements":["K","Hg","Ge","S"],"chemical_system":"Ge-Hg-K-S","density":4.542326721405761,"density_atomic":0.03793035979803953,"volume":395.4615795860521,"volume_molar":15.876835316260989,"formula_full":"K2 Hg3 Ge2 S8","formula_reduced":"K2Hg3(GeS4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":0.7797834466666669,"spacegroup":5},{"id":"jvasp-48242","created_at":"2022-09-04T14:35:53.461146Z","updated_at":"2022-09-04T14:35:53.461167Z","structure_string":"Li3 Ti2 Ni2 O8\n1.0\n5.850250 0.008075 0.004547\n-0.008048 5.816963 -0.008610\n-2.896699 -2.906344 4.211739\nLi Ti Ni O\n3 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000001 0.000000 Ti\n0.500000 0.000001 0.500000 Ni\n0.500000 0.500001 0.500000 Ni\n0.750872 0.763014 0.525821 O\n0.709986 0.233639 0.467408 O\n0.249850 0.224592 0.993500 O\n0.249755 0.768842 0.993331 O\n0.750245 0.231159 0.006670 O\n0.750150 0.775410 0.006501 O\n0.290014 0.766362 0.532593 O\n0.249128 0.236987 0.474180 O\n","nsites":15,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":4.1952903393436225,"density_atomic":0.10470533278256713,"volume":143.25917889157807,"volume_molar":5.751512936314026,"formula_full":"Li3 Ti2 Ni2 O8","formula_reduced":"Li3Ti2(NiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.427816631111111,"spacegroup":12},{"id":"jvasp-42386","created_at":"2022-09-04T14:37:29.295990Z","updated_at":"2022-09-04T14:37:29.296019Z","structure_string":"Li3 Fe2 Cu2 O8\n1.0\n-5.501738 0.002885 0.093767\n-0.003201 -5.503642 -0.012725\n2.627020 2.739529 4.632583\nLi Fe Cu O\n3 2 2 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000001 0.000000 Cu\n0.282198 0.270179 0.540346 O\n0.262459 0.747231 0.494462 O\n0.702602 0.182863 0.907305 O\n0.702610 0.724450 0.907315 O\n0.297390 0.275550 0.092684 O\n0.297398 0.817137 0.092694 O\n0.737541 0.252769 0.505537 O\n0.717802 0.729821 0.459653 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Cu","O"],"chemical_system":"Cu-Fe-Li-O","density":4.550654030620059,"density_atomic":0.10605520507442648,"volume":141.43577384507844,"volume_molar":5.678307590630593,"formula_full":"Li3 Fe2 Cu2 O8","formula_reduced":"Li3Fe2(CuO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.172489993333334,"spacegroup":12},{"id":"jvasp-42725","created_at":"2022-09-04T14:37:51.375402Z","updated_at":"2022-09-04T14:37:51.375427Z","structure_string":"Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":3.0893326811706063,"density_atomic":0.08812259978034652,"volume":170.2174020896892,"volume_molar":6.8338210345708434,"formula_full":"Li3 Fe2 Si2 O8","formula_reduced":"Li3Fe2(SiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.70839708,"spacegroup":1}]}