{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3426","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3424","results":[{"id":"jvasp-56919","created_at":"2022-09-04T14:37:08.693861Z","updated_at":"2022-09-04T14:37:08.693889Z","structure_string":"Er4 Al6 Co2\n1.0\n2.734245 -4.735851 0.000000\n2.734245 4.735851 0.000000\n-0.000000 0.000000 8.494736\nEr Al Co\n4 6 2\ndirect\n0.333332 0.666666 0.555884 Er\n0.666666 0.333332 0.055884 Er\n0.666666 0.333332 0.444116 Er\n0.333332 0.666666 0.944116 Er\n0.324257 0.162129 0.750000 Al\n0.162129 0.324257 0.250000 Al\n0.162129 0.837870 0.250000 Al\n0.837870 0.162129 0.750000 Al\n0.675741 0.837869 0.250000 Al\n0.837869 0.675741 0.750000 Al\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":12,"nelements":3,"elements":["Er","Al","Co"],"chemical_system":"Al-Co-Er","density":7.161509950197623,"density_atomic":0.054546376684574197,"volume":219.99628076842762,"volume_molar":11.040404745532935,"formula_full":"Er4 Al6 Co2","formula_reduced":"Er2Al3Co","formula_anonymous":"AB2C3","energy_above_hull":1.9629715500000005,"spacegroup":194},{"id":"jvasp-35321","created_at":"2022-09-04T14:37:28.999988Z","updated_at":"2022-09-04T14:37:29.000015Z","structure_string":"U1 Al2 Cu3\n1.0\n2.644918 -4.581133 0.000000\n2.644918 4.581133 -0.000000\n0.000000 -0.000000 3.954821\nU Al Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 U\n0.666667 0.333333 -0.000000 Al\n0.333333 0.666667 -0.000000 Al\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["U","Al","Cu"],"chemical_system":"Al-Cu-U","density":8.36221751248676,"density_atomic":0.06260504188994803,"volume":95.83892636869827,"volume_molar":9.61925841465961,"formula_full":"U1 Al2 Cu3","formula_reduced":"UAl2Cu3","formula_anonymous":"AB2C3","energy_above_hull":1.4984021583333336,"spacegroup":191},{"id":"jvasp-26793","created_at":"2022-09-04T14:37:12.907171Z","updated_at":"2022-09-04T14:37:12.907197Z","structure_string":"Na8 Ru4 O12\n1.0\n5.422949 -0.003303 -0.457776\n-2.766905 4.663972 -0.457776\n-0.019367 -0.033985 10.746122\nNa Ru O\n8 4 12\ndirect\n0.914949 0.085052 0.250000 Na\n0.841281 0.682308 -0.000040 Na\n0.682309 0.841281 0.499960 Na\n0.317692 0.158720 0.500039 Na\n0.000000 0.500000 0.500000 Na\n0.158720 0.317692 0.000039 Na\n0.085052 0.914949 0.750000 Na\n0.500000 0.000000 -0.000000 Na\n0.581995 0.418006 0.250000 Ru\n0.751072 0.248930 0.750000 Ru\n0.418006 0.581995 0.750000 Ru\n0.248929 0.751072 0.250000 Ru\n0.318233 0.487835 0.352898 O\n0.582203 0.120070 0.353121 O\n0.487835 0.318234 0.852898 O\n0.512167 0.681768 0.147101 O\n0.246762 0.049303 0.146143 O\n0.681768 0.512167 0.647101 O\n0.417798 0.879932 0.646878 O\n0.950699 0.753239 0.353856 O\n0.120069 0.582203 0.853121 O\n0.879932 0.417798 0.146878 O\n0.753239 0.950699 0.853856 O\n0.049302 0.246762 0.646143 O\n","nsites":24,"nelements":3,"elements":["Na","Ru","O"],"chemical_system":"Na-O-Ru","density":4.771266021015635,"density_atomic":0.08838831704696345,"volume":271.5290979830293,"volume_molar":6.8132768687068115,"formula_full":"Na8 Ru4 O12","formula_reduced":"Na2RuO3","formula_anonymous":"AB2C3","energy_above_hull":1.6534114999999998,"spacegroup":15},{"id":"jvasp-10301","created_at":"2022-09-04T14:37:07.490435Z","updated_at":"2022-09-04T14:37:07.490460Z","structure_string":"Li6 B2 N4\n1.0\n4.630598 0.000000 0.000000\n0.000000 4.630598 0.000000\n0.000000 0.000000 5.192355\nLi B N\n6 2 4\ndirect\n0.500000 0.000000 0.250000 Li\n0.500000 0.000000 0.750001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.500000 0.750001 Li\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.794872 0.794872 0.000000 N\n0.705128 0.294872 0.500000 N\n0.294872 0.705128 0.500000 N\n0.205128 0.205128 0.000000 N\n","nsites":12,"nelements":3,"elements":["Li","B","N"],"chemical_system":"B-Li-N","density":1.77922992233188,"density_atomic":0.10778112414344208,"volume":111.33674931827233,"volume_molar":5.587379801295585,"formula_full":"Li6 B2 N4","formula_reduced":"Li3BN2","formula_anonymous":"AB2C3","energy_above_hull":2.951699847222222,"spacegroup":136},{"id":"jvasp-47950","created_at":"2022-09-04T14:37:07.966445Z","updated_at":"2022-09-04T14:37:07.966601Z","structure_string":"Fe6 O3 F9\n1.0\n-4.922175 4.922175 3.086522\n-0.125368 4.796060 -3.084682\n-4.796060 0.125368 -3.084682\nFe O F\n6 3 9\ndirect\n0.835236 0.665410 0.667763 Fe\n0.335841 0.691331 0.639282 Fe\n0.664159 0.360718 0.308669 Fe\n0.164764 0.332237 0.334589 Fe\n0.500000 0.980647 0.019353 Fe\n0.000000 0.965375 0.034625 Fe\n0.328599 0.982911 0.357240 O\n0.000000 0.680333 0.319666 O\n0.671400 0.642760 0.017089 O\n0.366540 0.431340 0.436108 F\n0.662601 0.048967 0.622942 F\n0.337399 0.377058 0.951032 F\n0.963203 0.228321 0.237691 F\n0.299646 0.904086 0.896225 F\n0.633460 0.563892 0.568659 F\n0.036797 0.762309 0.771679 F\n0.700354 0.103775 0.095913 F\n0.000000 0.278529 0.721471 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.323811579141182,"density_atomic":0.08459373636395676,"volume":212.7817114325895,"volume_molar":7.1188967633375295,"formula_full":"Fe6 O3 F9","formula_reduced":"Fe2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.3199492245833335,"spacegroup":5},{"id":"jvasp-47929","created_at":"2022-09-04T14:37:08.880297Z","updated_at":"2022-09-04T14:37:08.880317Z","structure_string":"Mn6 O3 F9\n1.0\n4.778855 -0.134389 0.000000\n-0.134389 4.778855 0.000000\n0.000000 0.000000 9.480133\nMn O F\n6 3 9\ndirect\n0.955874 0.955874 0.000000 Mn\n0.028942 0.028942 0.332651 Mn\n0.028942 0.028942 0.667349 Mn\n0.492160 0.492160 0.833498 Mn\n0.492160 0.492160 0.166502 Mn\n0.492421 0.492421 0.500000 Mn\n0.320846 0.320846 0.668274 O\n0.663815 0.663815 0.000000 O\n0.320846 0.320846 0.331725 O\n0.823387 0.215324 0.500000 F\n0.192527 0.789868 0.167317 F\n0.215324 0.823387 0.500000 F\n0.192527 0.789868 0.832683 F\n0.268412 0.268412 0.000000 F\n0.716044 0.716044 0.340696 F\n0.716044 0.716044 0.659303 F\n0.789868 0.192527 0.167317 F\n0.789868 0.192527 0.832683 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.211103619068887,"density_atomic":0.083205867795812,"volume":216.33089680853004,"volume_molar":7.237639507322237,"formula_full":"Mn6 O3 F9","formula_reduced":"Mn2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.55450147170977,"spacegroup":38},{"id":"jvasp-15408","created_at":"2022-09-04T14:37:12.881233Z","updated_at":"2022-09-04T14:37:12.881253Z","structure_string":"U1 Al3 Pd2\n1.0\n2.694919 -4.667738 -0.000000\n2.694919 4.667738 0.000000\n-0.000000 -0.000000 4.224828\nU Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 U\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["U","Al","Pd"],"chemical_system":"Al-Pd-U","density":8.308397383445419,"density_atomic":0.05644949154892083,"volume":106.2897084697427,"volume_molar":10.668193095735914,"formula_full":"U1 Al3 Pd2","formula_reduced":"UAl3Pd2","formula_anonymous":"AB2C3","energy_above_hull":2.560585966666668,"spacegroup":191},{"id":"jvasp-47954","created_at":"2022-09-04T14:37:07.884899Z","updated_at":"2022-09-04T14:37:07.884931Z","structure_string":"Fe8 O4 F12\n1.0\n0.000000 5.680985 -0.075387\n4.685846 0.000000 0.000000\n0.000000 -1.213109 -10.511926\nFe O F\n8 4 12\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.256468 0.469990 0.272258 Fe\n0.743532 0.530011 0.727743 Fe\n0.256468 0.030011 0.772258 Fe\n0.500000 0.000000 0.500000 Fe\n0.743532 0.969990 0.227742 Fe\n0.000000 0.000000 0.000000 Fe\n0.270651 0.291771 0.433353 O\n0.270651 0.208230 0.933353 O\n0.729350 0.791771 0.066647 O\n0.729349 0.708230 0.566648 O\n0.519708 0.202100 0.678983 F\n0.480293 0.797901 0.321018 F\n0.230971 0.796986 0.590172 F\n0.984246 0.782460 0.826582 F\n0.480293 0.702100 0.821018 F\n0.230971 0.703015 0.090172 F\n0.984246 0.717541 0.326582 F\n0.769029 0.296986 0.909829 F\n0.519708 0.297900 0.178983 F\n0.015755 0.282460 0.673419 F\n0.015755 0.217541 0.173418 F\n0.769030 0.203015 0.409828 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.37704763558197,"density_atomic":0.08563527965074895,"volume":280.2583245816504,"volume_molar":7.032312832468612,"formula_full":"Fe8 O4 F12","formula_reduced":"Fe2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.32287089125,"spacegroup":14},{"id":"jvasp-56252","created_at":"2022-09-04T14:37:07.823777Z","updated_at":"2022-09-04T14:37:07.823803Z","structure_string":"Ta6 Al2 C4\n1.0\n1.554685 -2.692793 0.000000\n1.554685 2.692793 -0.000000\n-0.000000 -0.000000 19.251601\nTa Al C\n6 2 4\ndirect\n0.333335 0.666668 0.865680 Ta\n0.666668 0.333335 0.365680 Ta\n0.333335 0.666668 0.634320 Ta\n0.666668 0.333335 0.134320 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666668 0.333335 0.568466 C\n0.666668 0.333335 0.931534 C\n0.333335 0.666668 0.431534 C\n0.333335 0.666668 0.068466 C\n","nsites":12,"nelements":3,"elements":["Ta","Al","C"],"chemical_system":"Al-C-Ta","density":12.2352014961172,"density_atomic":0.0744455975505489,"volume":161.19153307691494,"volume_molar":8.089317512578148,"formula_full":"Ta6 Al2 C4","formula_reduced":"Ta3AlC2","formula_anonymous":"AB2C3","energy_above_hull":6.167898399999999,"spacegroup":194},{"id":"jvasp-35832","created_at":"2022-09-04T14:37:29.597464Z","updated_at":"2022-09-04T14:37:29.597489Z","structure_string":"Ca2 H3 Br1\n1.0\n1.945003 -3.368845 -0.000000\n1.945003 3.368845 0.000000\n0.000000 -0.000000 6.834125\nCa H Br\n2 3 1\ndirect\n0.666666 0.333332 0.185957 Ca\n0.333332 0.666666 0.814042 Ca\n0.666666 0.333332 0.849876 H\n0.333332 0.666666 0.150123 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Br\n","nsites":6,"nelements":3,"elements":["Ca","H","Br"],"chemical_system":"Br-Ca-H","density":3.023749114858702,"density_atomic":0.06699417317633585,"volume":89.56002761922826,"volume_molar":8.989051546541338,"formula_full":"Ca2 H3 Br1","formula_reduced":"Ca2H3Br","formula_anonymous":"AB2C3","energy_above_hull":1.0727891575,"spacegroup":164},{"id":"jvasp-31665","created_at":"2022-09-04T14:37:17.269610Z","updated_at":"2022-09-04T14:37:17.269622Z","structure_string":"U4 Al2 Co6\n1.0\n2.584432 -4.476367 -0.000000\n2.584432 4.476367 -0.000000\n-0.000000 -0.000000 7.602038\nU Al Co\n4 2 6\ndirect\n0.333332 0.666667 0.928504 U\n0.666667 0.333332 0.428504 U\n0.666667 0.333332 0.071496 U\n0.333332 0.666667 0.571496 U\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.829269 0.170731 0.750000 Co\n0.170731 0.341463 0.250000 Co\n0.658537 0.829268 0.250000 Co\n0.341463 0.170731 0.750000 Co\n0.829268 0.658537 0.750000 Co\n0.170731 0.829269 0.250000 Co\n","nsites":12,"nelements":3,"elements":["U","Al","Co"],"chemical_system":"Al-Co-U","density":12.836135856978073,"density_atomic":0.06822293812347477,"volume":175.89391970016797,"volume_molar":8.827149527187906,"formula_full":"U4 Al2 Co6","formula_reduced":"U2AlCo3","formula_anonymous":"AB2C3","energy_above_hull":4.28077125,"spacegroup":194},{"id":"jvasp-50801","created_at":"2022-09-04T14:37:08.084739Z","updated_at":"2022-09-04T14:37:08.084760Z","structure_string":"Li12 Cu4 S8\n1.0\n-3.927884 3.927884 5.969496\n3.927884 -3.927884 5.969496\n3.927884 3.927884 -5.969496\nLi Cu S\n12 4 8\ndirect\n0.843759 0.156241 0.250000 Li\n0.406240 0.156240 0.812482 Li\n0.593759 0.406240 0.749999 Li\n0.156240 0.406240 0.312483 Li\n-0.000000 -0.000000 0.499999 Li\n0.000000 0.500000 0.000000 Li\n0.156240 0.843759 0.749999 Li\n0.406241 0.593760 0.250000 Li\n0.843759 0.593760 0.687516 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.593760 0.843760 0.187517 Li\n0.246865 0.496865 0.749999 Cu\n0.503134 0.753134 0.749999 Cu\n0.496866 0.246866 0.250000 Cu\n0.753134 0.503135 0.250000 Cu\n0.210702 0.232844 0.977858 S\n0.789298 0.767156 0.022141 S\n0.754985 0.232845 0.522140 S\n0.232844 0.210703 0.477859 S\n0.767155 0.245015 0.977858 S\n0.232845 0.754985 0.022141 S\n0.767156 0.789297 0.522140 S\n0.245015 0.767155 0.477859 S\n","nsites":24,"nelements":3,"elements":["Li","Cu","S"],"chemical_system":"Cu-Li-S","density":2.6774270946365157,"density_atomic":0.0651472784763978,"volume":368.39604909505096,"volume_molar":9.243886929492781,"formula_full":"Li12 Cu4 S8","formula_reduced":"Li3CuS2","formula_anonymous":"AB2C3","energy_above_hull":0.8256784083333335,"spacegroup":141}]}