{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=3375","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=3373","results":[{"id":"jvasp-35995","created_at":"2022-09-04T14:37:28.938894Z","updated_at":"2022-09-04T14:37:28.938915Z","structure_string":"Li2 Sn1 Ir1\n1.0\n3.059721 3.059721 -0.000000\n3.059721 0.000000 -3.059721\n-0.000000 3.059721 -3.059721\nLi Sn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Li","Sn","Ir"],"chemical_system":"Ir-Li-Sn","density":9.414595701761286,"density_atomic":0.06982075069852177,"volume":57.289558762717334,"volume_molar":8.625144673684382,"formula_full":"Li2 Sn1 Ir1","formula_reduced":"Li2SnIr","formula_anonymous":"ABC2","energy_above_hull":1.5352582,"spacegroup":225},{"id":"jvasp-22546","created_at":"2022-09-04T14:37:28.948175Z","updated_at":"2022-09-04T14:37:28.948209Z","structure_string":"Li1 Mg1 N1\n1.0\n3.518176 0.000000 0.000000\n1.759088 3.046830 0.000000\n1.759088 1.015610 2.872579\nLi Mg N\n1 1 1\ndirect\n0.750002 0.750000 0.750000 Li\n0.250001 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 N\n","nsites":3,"nelements":3,"elements":["Li","Mg","N"],"chemical_system":"Li-Mg-N","density":2.440370845336542,"density_atomic":0.09742793297833426,"volume":30.79199063647518,"volume_molar":6.181123396448517,"formula_full":"Li1 Mg1 N1","formula_reduced":"LiMgN","formula_anonymous":"ABC","energy_above_hull":1.1985974333333331,"spacegroup":216},{"id":"jvasp-35000","created_at":"2022-09-04T14:37:28.949322Z","updated_at":"2022-09-04T14:37:28.949348Z","structure_string":"Mg2 Cu2 Ge2\n1.0\n4.036811 0.000000 0.000000\n0.000000 4.036811 -0.000000\n0.000000 0.000000 6.361637\nMg Cu Ge\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.295321 Cu\n0.000000 0.500000 0.704680 Cu\n0.500000 0.000000 0.677155 Ge\n0.000000 0.500000 0.322846 Ge\n","nsites":6,"nelements":3,"elements":["Mg","Cu","Ge"],"chemical_system":"Cu-Ge-Mg","density":5.141431555979556,"density_atomic":0.05787693618093474,"volume":103.66823809129795,"volume_molar":10.4050787021165,"formula_full":"Mg2 Cu2 Ge2","formula_reduced":"MgCuGe","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":129},{"id":"jvasp-50747","created_at":"2022-09-04T14:37:28.951756Z","updated_at":"2022-09-04T14:37:28.951777Z","structure_string":"Li5 Cu1 F8\n1.0\n4.998074 -0.018684 0.000000\n-1.716492 4.694118 0.000000\n0.000000 0.000000 5.851415\nLi Cu F\n5 1 8\ndirect\n0.000000 0.500000 0.227969 Li\n0.000000 0.500000 0.772032 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 0.227969 Li\n0.500000 0.000000 0.772032 Li\n0.500000 0.500001 0.500000 Cu\n0.264232 0.735769 0.000000 F\n0.265971 0.734030 0.500000 F\n0.271179 0.271179 0.260263 F\n0.271179 0.271179 0.739738 F\n0.728821 0.728822 0.260263 F\n0.728821 0.728822 0.739738 F\n0.734029 0.265972 0.500000 F\n0.735768 0.264233 0.000000 F\n","nsites":14,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.03095321186929,"density_atomic":0.10211852157259803,"volume":137.09560013603536,"volume_molar":5.897207154256286,"formula_full":"Li5 Cu1 F8","formula_reduced":"Li5CuF8","formula_anonymous":"AB5C8","energy_above_hull":0.1467551008928571,"spacegroup":65},{"id":"jvasp-36462","created_at":"2022-09-04T14:37:28.956137Z","updated_at":"2022-09-04T14:37:28.956170Z","structure_string":"Ca3 Bi1 As1\n1.0\n5.491650 -0.000000 0.000000\n-0.000000 5.491650 -0.000000\n0.000000 0.000000 5.491650\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n","nsites":5,"nelements":3,"elements":["Ca","Bi","As"],"chemical_system":"As-Bi-Ca","density":4.051987384984989,"density_atomic":0.030189884591519438,"volume":165.6183873390671,"volume_molar":19.94754482000128,"formula_full":"Ca3 Bi1 As1","formula_reduced":"Ca3BiAs","formula_anonymous":"ABC3","energy_above_hull":0.2111594619999999,"spacegroup":221},{"id":"jvasp-51728","created_at":"2022-09-04T14:37:28.970003Z","updated_at":"2022-09-04T14:37:28.970034Z","structure_string":"Ca4 Mg3 H14\n1.0\n3.112170 -5.390437 0.000000\n3.112170 5.390437 0.000000\n0.000000 0.000000 6.842828\nCa Mg H\n4 3 14\ndirect\n0.000000 0.000000 0.266422 Ca\n0.000000 0.000000 0.733578 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.557060 0.557060 0.000000 Mg\n-0.000000 0.442940 0.000000 Mg\n0.442940 -0.000000 0.000000 Mg\n0.769441 -0.000000 0.000000 H\n-0.000000 0.769441 0.000000 H\n0.230560 0.230560 0.000000 H\n0.736431 -0.000000 0.500000 H\n-0.000000 0.736431 0.500000 H\n0.263569 0.263569 0.500000 H\n0.611972 0.611972 0.723981 H\n-0.000000 0.388028 0.723981 H\n0.666667 0.333333 0.000000 H\n0.388028 -0.000000 0.276019 H\n-0.000000 0.388028 0.276019 H\n0.611972 0.611972 0.276019 H\n0.388028 -0.000000 0.723981 H\n0.333333 0.666667 0.000000 H\n","nsites":21,"nelements":3,"elements":["Ca","Mg","H"],"chemical_system":"Ca-H-Mg","density":1.788905161112728,"density_atomic":0.09146741145600801,"volume":229.58996724314343,"volume_molar":6.583919522961899,"formula_full":"Ca4 Mg3 H14","formula_reduced":"Ca4Mg3H14","formula_anonymous":"A3B4C14","energy_above_hull":1.889603753809524,"spacegroup":189},{"id":"jvasp-35656","created_at":"2022-09-04T14:37:28.979876Z","updated_at":"2022-09-04T14:37:28.979907Z","structure_string":"Hf1 B1 Rh3\n1.0\n4.120734 -0.000000 -0.000000\n0.000000 4.120734 -0.000000\n-0.000000 -0.000000 4.120734\nHf B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n","nsites":5,"nelements":3,"elements":["Hf","B","Rh"],"chemical_system":"B-Hf-Rh","density":11.818706786147029,"density_atomic":0.07145724386386101,"volume":69.97191228821958,"volume_molar":8.427614100920641,"formula_full":"Hf1 B1 Rh3","formula_reduced":"HfBRh3","formula_anonymous":"ABC3","energy_above_hull":3.8182309166666655,"spacegroup":221},{"id":"jvasp-36613","created_at":"2022-09-04T14:37:28.984217Z","updated_at":"2022-09-04T14:37:28.984241Z","structure_string":"Si1 Hg1 O3\n1.0\n3.660860 0.000000 -0.000000\n0.000000 3.660860 -0.000000\n0.000000 0.000000 3.660860\nSi Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Si","Hg","O"],"chemical_system":"Hg-O-Si","density":9.364133858943392,"density_atomic":0.1019109012051507,"volume":49.062464769444055,"volume_molar":5.909221377482661,"formula_full":"Si1 Hg1 O3","formula_reduced":"SiHgO3","formula_anonymous":"ABC3","energy_above_hull":1.5643967399999996,"spacegroup":221},{"id":"jvasp-36616","created_at":"2022-09-04T14:37:28.987795Z","updated_at":"2022-09-04T14:37:28.987820Z","structure_string":"Hg1 Rh1 O3\n1.0\n3.933120 0.000000 -0.000000\n-0.000000 3.933120 0.000000\n0.000000 0.000000 3.933120\nHg Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Hg","Rh","O"],"chemical_system":"Hg-O-Rh","density":9.593013415842432,"density_atomic":0.08217853850970272,"volume":60.84313606294734,"volume_molar":7.32811859301802,"formula_full":"Hg1 Rh1 O3","formula_reduced":"HgRhO3","formula_anonymous":"ABC3","energy_above_hull":1.7370036200000003,"spacegroup":221},{"id":"jvasp-53125","created_at":"2022-09-04T14:37:28.990436Z","updated_at":"2022-09-04T14:37:28.990457Z","structure_string":"Na2 Cl2 O4\n1.0\n4.348272 0.169435 -0.708615\n0.142808 4.522308 -0.540897\n-1.310159 -1.208527 6.368050\nNa Cl O\n2 2 4\ndirect\n0.065834 0.947055 0.005682 Na\n0.565829 0.447084 0.505720 Na\n0.512667 0.419861 -0.034473 Cl\n0.012633 0.919864 0.465503 Cl\n0.821689 0.436429 0.898349 O\n0.591660 0.206415 0.128273 O\n0.091698 0.706421 0.628257 O\n0.321654 0.936460 0.398334 O\n","nsites":8,"nelements":3,"elements":["Na","Cl","O"],"chemical_system":"Cl-Na-O","density":2.5396396012459674,"density_atomic":0.06764175936093969,"volume":118.27013483359612,"volume_molar":8.902992495901188,"formula_full":"Na2 Cl2 O4","formula_reduced":"NaClO2","formula_anonymous":"ABC2","energy_above_hull":0.9771063029166664,"spacegroup":8},{"id":"jvasp-50923","created_at":"2022-09-04T14:37:28.993567Z","updated_at":"2022-09-04T14:37:28.993594Z","structure_string":"Ba3 Hf2 O7\n1.0\n0.000000 4.184446 0.000000\n2.092224 -2.092224 10.973762\n4.184446 0.000000 -0.000000\nBa Hf O\n3 2 7\ndirect\n0.500000 0.000000 0.500000 Ba\n0.686001 0.371999 0.314000 Ba\n0.314000 0.628001 0.686000 Ba\n0.903510 0.807016 0.096491 Hf\n0.096492 0.192984 0.903509 Hf\n0.000000 0.000000 0.000000 O\n0.095529 0.191057 0.404472 O\n0.404473 0.808943 0.095528 O\n0.808319 0.616636 0.191682 O\n0.191683 0.383364 0.808318 O\n0.595529 0.191057 0.904472 O\n0.904473 0.808943 0.595528 O\n","nsites":12,"nelements":3,"elements":["Ba","Hf","O"],"chemical_system":"Ba-Hf-O","density":7.613287622549814,"density_atomic":0.06245249218831832,"volume":192.14605501755443,"volume_molar":9.642754914953477,"formula_full":"Ba3 Hf2 O7","formula_reduced":"Ba3Hf2O7","formula_anonymous":"A2B3C7","energy_above_hull":2.463066534166667,"spacegroup":139},{"id":"jvasp-58421","created_at":"2022-09-04T14:37:28.995248Z","updated_at":"2022-09-04T14:37:28.995268Z","structure_string":"Na12 Fe2 S8\n1.0\n4.444926 -7.698838 -0.000000\n4.444926 7.698838 -0.000000\n0.000000 -0.000000 6.880160\nNa Fe S\n12 2 8\ndirect\n0.146139 0.853862 0.460028 Na\n0.469221 0.530780 0.131563 Na\n0.938443 0.469221 0.631563 Na\n0.061558 0.530780 0.131563 Na\n0.469221 0.938443 0.131563 Na\n0.530780 0.469221 0.631563 Na\n0.530780 0.061558 0.631563 Na\n0.146139 0.292277 0.460028 Na\n0.707724 0.853862 0.460028 Na\n0.292277 0.146139 0.960028 Na\n0.853862 0.707724 0.960028 Na\n0.853862 0.146139 0.960028 Na\n0.666667 0.333333 0.247337 Fe\n0.333333 0.666667 0.747337 Fe\n0.376857 0.188429 0.355058 S\n0.811572 0.188429 0.355058 S\n0.188429 0.376857 0.855058 S\n0.333333 0.666667 0.405817 S\n0.666667 0.333333 0.905817 S\n0.188429 0.811572 0.855058 S\n0.811572 0.623144 0.355058 S\n0.623144 0.811572 0.855058 S\n","nsites":22,"nelements":3,"elements":["Na","Fe","S"],"chemical_system":"Fe-Na-S","density":2.2713054188482236,"density_atomic":0.04672017176558545,"volume":470.8886797416576,"volume_molar":12.88980868952192,"formula_full":"Na12 Fe2 S8","formula_reduced":"Na6FeS4","formula_anonymous":"AB4C6","energy_above_hull":0.6497745000000001,"spacegroup":186}]}