{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4402","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4400","results":[{"id":"jvasp-112279","created_at":"2022-09-04T14:38:26.217049Z","updated_at":"2022-09-04T14:38:26.217083Z","structure_string":"Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n","nsites":28,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.077931083488122,"density_atomic":0.11288236140089938,"volume":248.04583862804373,"volume_molar":5.334881982679732,"formula_full":"Li8 Mn6 O14","formula_reduced":"Li4Mn3O7","formula_anonymous":"A3B4C7","energy_above_hull":2.7080311588669947,"spacegroup":2},{"id":"jvasp-24270","created_at":"2022-09-04T14:38:18.232750Z","updated_at":"2022-09-04T14:38:18.232764Z","structure_string":"Nd6 Si4 S16 Br2\n1.0\n7.720234 0.000000 0.000000\n-3.860117 7.781208 -1.077487\n0.000000 -0.040573 10.936870\nNd Si S Br\n6 4 16 2\ndirect\n0.316867 0.391602 0.183116 Nd\n0.074733 0.391602 0.683116 Nd\n0.925266 0.608399 0.316883 Nd\n0.384802 0.000000 0.750000 Nd\n0.683132 0.608399 0.816883 Nd\n0.615198 0.000000 0.250000 Nd\n0.624578 0.318505 0.527471 Si\n0.306074 0.681496 0.972528 Si\n0.693926 0.318505 0.027471 Si\n0.375422 0.681496 0.472528 Si\n0.743168 0.294427 0.836437 S\n0.256832 0.705573 0.163562 S\n0.855110 0.568766 0.585002 S\n0.104625 0.709941 0.856649 S\n0.405663 0.130982 0.042967 S\n0.713655 0.568765 0.085002 S\n0.144890 0.431235 0.414998 S\n0.551258 0.294427 0.336437 S\n0.274682 0.869019 0.457033 S\n0.448741 0.705574 0.663562 S\n0.286345 0.431235 0.914998 S\n0.725317 0.130982 0.542967 S\n0.605315 0.709941 0.356648 S\n0.594337 0.869019 0.957033 S\n0.895374 0.290060 0.143351 S\n0.394685 0.290060 0.643351 S\n0.990226 0.000000 0.750000 Br\n0.009774 0.000000 0.250000 Br\n","nsites":28,"nelements":4,"elements":["Nd","Si","S","Br"],"chemical_system":"Br-Nd-S-Si","density":4.174020757011332,"density_atomic":0.042639357001213976,"volume":656.6703151551469,"volume_molar":14.1234323956352,"formula_full":"Nd6 Si4 S16 Br2","formula_reduced":"Nd3Si2S8Br","formula_anonymous":"AB2C3D8","energy_above_hull":2.202743271785714,"spacegroup":15},{"id":"jvasp-26741","created_at":"2022-09-04T14:38:18.217646Z","updated_at":"2022-09-04T14:38:18.217665Z","structure_string":"K8 P4 O16\n1.0\n0.000000 5.902257 0.022585\n10.201211 0.000000 0.000000\n0.000000 -1.200981 -7.256126\nK P O\n8 4 16\ndirect\n0.747689 0.915391 0.172858 K\n0.252312 0.415391 0.327143 K\n0.252312 0.084609 0.827143 K\n0.747689 0.584609 0.672858 K\n0.238663 0.769892 0.471988 K\n0.761337 0.269892 0.028012 K\n0.761337 0.230108 0.528013 K\n0.238664 0.730108 0.971989 K\n0.273632 0.423609 0.778064 P\n0.726369 0.576391 0.221937 P\n0.273632 0.076391 0.278064 P\n0.726369 0.923609 0.721937 P\n0.223574 0.946874 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-0.000322\n-0.000356 0.000617 9.070651\nLi Fe Ni O\n4 2 6 16\ndirect\n0.333330 0.666674 0.898507 Li\n0.999891 0.999956 0.995272 Li\n0.000108 0.000064 0.495272 Li\n0.666670 0.333343 0.398507 Li\n0.333369 0.666695 0.493256 Fe\n0.666630 0.333325 0.993256 Fe\n0.830372 0.169701 0.713699 Ni\n0.830371 0.660696 0.713699 Ni\n0.339380 0.169700 0.713702 Ni\n0.169628 0.339329 0.213699 Ni\n0.169628 0.830326 0.213699 Ni\n0.660620 0.830318 0.213702 Ni\n0.332028 0.166028 0.091452 O\n0.833894 0.667885 0.091484 O\n0.666713 0.333370 0.611582 O\n0.519857 0.039673 0.844811 O\n0.519848 0.480200 0.844807 O\n0.667971 0.834000 0.591452 O\n0.480143 0.519816 0.344811 O\n0.039658 0.519841 0.344828 O\n0.166094 0.332131 0.591484 O\n0.000035 0.000028 0.805337 O\n-0.000035 -0.000007 0.305337 O\n0.333287 0.666658 0.111582 O\n0.960342 0.480183 0.844828 O\n0.166104 0.833991 0.591484 O\n0.480151 0.960352 0.344808 O\n0.833906 0.166036 0.091483 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O12\n1.0\n8.752954 0.000000 -3.094637\n-4.376478 7.580280 -3.094637\n0.000000 0.000000 9.283910\nK Bi O\n12 4 12\ndirect\n0.244812 0.517823 0.517823 K\n0.726989 -0.000000 0.482176 K\n0.482176 -0.000000 0.726989 K\n0.517823 0.517823 0.244812 K\n0.482176 0.726989 -0.000001 K\n0.726989 0.482177 -0.000001 K\n-0.000000 0.726989 0.482176 K\n0.755187 0.273011 0.273010 K\n0.273010 0.755187 0.273010 K\n0.273011 0.273011 0.755187 K\n-0.000000 0.482177 0.726989 K\n0.517823 0.244813 0.517823 K\n-0.000000 0.291992 -0.000000 Bi\n0.000000 0.000000 0.291992 Bi\n0.708008 0.708008 0.708007 Bi\n0.291992 -0.000000 -0.000000 Bi\n0.212540 -0.000000 0.472421 O\n0.472421 -0.000000 0.212540 O\n0.527578 0.527579 0.740120 O\n0.472421 0.212540 -0.000000 O\n0.212540 0.472421 -0.000000 O\n-0.000000 0.212540 0.472421 O\n0.259879 0.787460 0.787459 O\n0.787459 0.259880 0.787459 O\n-0.000000 0.472421 0.212540 O\n0.740120 0.527579 0.527578 O\n0.527578 0.740120 0.527578 O\n0.787459 0.787460 0.259879 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0.299933 S\n0.750001 0.517015 0.786428 S\n0.250000 0.663642 0.987240 S\n0.750001 0.017015 0.713572 S\n0.250000 0.482985 0.213572 S\n0.250000 0.982985 0.286428 S\n0.250000 0.163642 0.512760 S\n0.250000 0.237008 0.799933 S\n0.750001 0.762992 0.200067 S\n0.750001 0.555155 0.408889 S\n0.750001 0.336358 0.012760 S\n0.250000 0.444845 0.591111 S\n0.250000 0.737008 0.700067 S\n0.750001 0.836358 0.487240 S\n0.250000 0.944845 0.908889 S\n0.750001 0.055155 0.091111 S\n","nsites":28,"nelements":3,"elements":["Bi","Pb","S"],"chemical_system":"Bi-Pb-S","density":7.00469097922594,"density_atomic":0.03919226088560992,"volume":714.4267609802695,"volume_molar":15.365637561907352,"formula_full":"Bi8 Pb4 S16","formula_reduced":"Bi2PbS4","formula_anonymous":"AB2C4","energy_above_hull":1.4978513457142857,"spacegroup":62},{"id":"jvasp-40171","created_at":"2022-09-04T14:38:16.862745Z","updated_at":"2022-09-04T14:38:16.862763Z","structure_string":"K4 Si4 Bi4 S16\n1.0\n0.000000 6.546008 -0.016297\n6.712770 0.000000 0.000000\n0.000000 -5.215280 -16.227023\nK Si Bi S\n4 4 4 16\ndirect\n0.219886 0.246877 0.965105 K\n0.780114 0.746877 0.534895 K\n0.780114 0.753123 0.034895 K\n0.219886 0.253123 0.465105 K\n0.292665 0.734108 0.844536 Si\n0.707335 0.234108 0.655464 Si\n0.707335 0.265892 0.155464 Si\n0.292665 0.765892 0.344536 Si\n0.739016 0.711938 0.279076 Bi\n0.260984 0.211938 0.220924 Bi\n0.260984 0.288062 0.720924 Bi\n0.739016 0.788062 0.779076 Bi\n0.903478 0.190755 0.781610 S\n0.096523 0.690755 0.718390 S\n0.487650 0.504307 0.360819 S\n0.512351 0.004307 0.139181 S\n0.512351 0.495693 0.639181 S\n0.487650 0.995693 0.860819 S\n0.090242 0.757540 0.421342 S\n0.480961 0.996783 0.630735 S\n0.909758 0.242460 0.578658 S\n0.090242 0.742460 0.921342 S\n0.519039 0.003217 0.369265 S\n0.480961 0.503217 0.130735 S\n0.903478 0.309245 0.281610 S\n0.519039 0.496783 0.869265 S\n0.909758 0.257540 0.078658 S\n0.096523 0.809245 0.218390 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0.842183 0.124888 S\n0.657818 0.163621 0.375112 S\n0.842183 0.663621 0.875112 S\n0.157818 0.336380 0.875112 S\n0.657818 0.836380 0.624888 S\n0.163621 0.657818 0.624888 S\n0.157818 0.663621 0.124888 S\n0.163621 0.342182 0.375112 S\n0.663621 0.157818 0.875112 S\n0.836380 0.657818 0.375112 S\n0.342182 0.163621 0.624888 S\n0.842183 0.336380 0.124888 S\n0.336380 0.157818 0.124888 S\n0.336380 0.842183 0.875112 S\n0.342182 0.836380 0.375112 S\n0.836380 0.342182 0.624888 S\n","nsites":28,"nelements":3,"elements":["Al","Bi","S"],"chemical_system":"Al-Bi-S","density":3.7981336650640336,"density_atomic":0.04092761907319335,"volume":684.134592582234,"volume_molar":14.714124340412374,"formula_full":"Al8 Bi4 S16","formula_reduced":"Al2BiS4","formula_anonymous":"AB2C4","energy_above_hull":1.7883285571428569,"spacegroup":126},{"id":"jvasp-55472","created_at":"2022-09-04T14:38:11.278591Z","updated_at":"2022-09-04T14:38:11.278626Z","structure_string":"Na4 Mn4 P4 O16\n1.0\n5.110895 0.000000 0.000000\n-0.000000 6.897300 0.000000\n0.000000 0.000000 9.154197\nNa Mn P O\n4 4 4 16\ndirect\n0.025393 0.250000 0.648425 Na\n0.525393 0.750000 0.851575 Na\n0.974608 0.750000 0.351575 Na\n0.474607 0.250000 0.148425 Na\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.470417 0.750000 0.176067 P\n0.970418 0.250000 0.323933 P\n0.529583 0.250000 0.823933 P\n0.029583 0.750000 0.676068 P\n0.259471 0.250000 0.378665 O\n0.759471 0.750000 0.121335 O\n0.328245 0.567137 0.120262 O\n0.828245 0.432863 0.379738 O\n0.671756 0.067137 0.879738 O\n0.171755 0.932863 0.620262 O\n0.671756 0.432863 0.879738 O\n0.546647 0.250000 0.652380 O\n0.328245 0.932863 0.120262 O\n0.828245 0.067137 0.379738 O\n0.453354 0.750000 0.347620 O\n0.953354 0.250000 0.152380 O\n0.240529 0.250000 0.878666 O\n0.046647 0.750000 0.847620 O\n0.171755 0.567137 0.620262 O\n0.740530 0.750000 0.621335 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0.336721 0.743297 Fe\n0.082805 0.836721 0.756701 Fe\n0.082805 0.663279 0.256701 Fe\n0.917195 0.163279 0.243298 Fe\n0.970983 0.227850 0.548899 O\n0.029016 0.727850 0.951099 O\n0.029016 0.772150 0.451100 O\n0.970983 0.272150 0.048899 O\n0.452017 0.873131 0.953163 O\n0.547983 0.373130 0.546836 O\n0.179865 0.061570 0.300309 O\n0.820134 0.561570 0.199690 O\n0.820134 0.938430 0.699690 O\n0.179865 0.438430 0.800309 O\n0.547983 0.126870 0.046836 O\n0.452017 0.626870 0.453163 O\n","nsites":28,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":2.9845174172602333,"density_atomic":0.07280276730423467,"volume":384.60076500926283,"volume_molar":8.271856940319513,"formula_full":"Na12 Fe4 O12","formula_reduced":"Na3FeO3","formula_anonymous":"AB3C3","energy_above_hull":1.1683404285714285,"spacegroup":14},{"id":"jvasp-14056","created_at":"2022-09-04T14:38:05.903950Z","updated_at":"2022-09-04T14:38:05.903974Z","structure_string":"K4 Au4 Se20\n1.0\n7.882562 -0.000000 3.410833\n2.497019 9.398822 5.043159\n-0.060868 0.030699 10.954532\nK Au Se\n4 4 20\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.250000 0.881076 0.618924 Au\n0.250000 0.618924 0.881076 Au\n0.750000 0.381076 0.118924 Au\n0.750000 0.118924 0.381076 Au\n0.560504 0.778714 0.522599 Se\n0.439495 0.221285 0.477401 Se\n0.638182 0.278714 0.022599 Se\n0.938547 0.352423 0.647576 Se\n0.438547 0.147577 0.852423 Se\n0.561452 0.852423 0.147576 Se\n0.061452 0.647576 0.352423 Se\n0.842573 0.718155 0.053811 Se\n0.114539 0.781845 0.446189 Se\n0.657427 0.446189 0.781844 Se\n0.385460 0.053811 0.718155 Se\n0.157427 0.281845 0.946189 Se\n0.885460 0.218156 0.553811 Se\n0.060504 0.022599 0.278715 Se\n0.614539 0.946188 0.281845 Se\n0.138182 0.522599 0.778714 Se\n0.939495 0.977401 0.721285 Se\n0.361817 0.721285 0.977401 Se\n0.861817 0.477401 0.221285 Se\n0.342573 0.553811 0.218156 Se\n","nsites":28,"nelements":3,"elements":["K","Au","Se"],"chemical_system":"Au-K-Se","density":5.156797395284953,"density_atomic":0.034458206385173586,"volume":812.5785679909221,"volume_molar":17.476651839287726,"formula_full":"K4 Au4 Se20","formula_reduced":"KAuSe5","formula_anonymous":"ABC5","energy_above_hull":1.0312347098412695,"spacegroup":72}]}