{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=598","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=596","results":[{"id":"jvasp-36621","created_at":"2022-09-04T14:37:29.294799Z","updated_at":"2022-09-04T14:37:29.294819Z","structure_string":"Zr1 Zn1 O3\n1.0\n4.113983 -0.000000 0.000000\n-0.000000 4.113983 -0.000000\n0.000000 -0.000000 4.113983\nZr Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\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":["Zr","Zn","O"],"chemical_system":"O-Zn-Zr","density":4.880153362708139,"density_atomic":0.07180960305850707,"volume":69.62857037277084,"volume_molar":8.386261034047832,"formula_full":"Zr1 Zn1 O3","formula_reduced":"ZrZnO3","formula_anonymous":"ABC3","energy_above_hull":1.70297508,"spacegroup":221},{"id":"jvasp-55522","created_at":"2022-09-04T14:37:07.891497Z","updated_at":"2022-09-04T14:37:07.891532Z","structure_string":"P4 Pb4 S12\n1.0\n0.000000 6.720858 -0.005319\n7.481925 0.000000 0.000000\n0.000000 -6.419616 -9.417320\nP Pb S\n4 4 12\ndirect\n0.875590 0.139178 0.713012 P\n0.875591 0.860822 0.213012 P\n0.132886 0.360813 0.844749 P\n0.132887 0.639188 0.344749 P\n0.788231 0.634975 0.526391 Pb\n0.220258 0.134993 0.531367 Pb\n0.220258 0.865008 0.031367 Pb\n0.788231 0.365026 0.026391 Pb\n0.099385 0.053484 0.221162 S\n0.371226 0.255799 0.040461 S\n0.725046 0.946247 0.317003 S\n0.099384 0.946517 0.721162 S\n0.637256 0.755815 0.017295 S\n0.909093 0.553468 0.836600 S\n0.725045 0.053753 0.817003 S\n0.909093 0.446532 0.336599 S\n0.371226 0.744202 0.540461 S\n0.283428 0.553744 0.240760 S\n0.637256 0.244186 0.517295 S\n0.283428 0.446257 0.740760 S\n","nsites":20,"nelements":3,"elements":["P","Pb","S"],"chemical_system":"P-Pb-S","density":4.687433847435265,"density_atomic":0.042211458799788625,"volume":473.80499439408504,"volume_molar":14.266601845160954,"formula_full":"P4 Pb4 S12","formula_reduced":"PPbS3","formula_anonymous":"ABC3","energy_above_hull":1.7993412640000002,"spacegroup":14},{"id":"jvasp-1139","created_at":"2022-09-04T14:37:13.204152Z","updated_at":"2022-09-04T14:37:13.204191Z","structure_string":"La2 Al2 O6\n1.0\n4.667327 -0.006649 2.682654\n1.549169 4.402733 2.682654\n-0.009401 -0.006649 5.383353\nLa Al O\n2 2 6\ndirect\n0.750001 0.749999 0.749998 La\n0.250000 0.250000 0.249999 La\n0.500001 0.499999 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.285049 0.749999 0.214950 O\n0.750001 0.214951 0.285048 O\n0.214952 0.285048 0.749999 O\n0.714952 0.249999 0.785047 O\n0.785050 0.714951 0.249999 O\n0.250001 0.785048 0.714950 O\n","nsites":10,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":6.4083269558467,"density_atomic":0.0902162595304116,"volume":110.8447640375628,"volume_molar":6.675227715431891,"formula_full":"La2 Al2 O6","formula_reduced":"LaAlO3","formula_anonymous":"ABC3","energy_above_hull":1.57781966,"spacegroup":167},{"id":"jvasp-34776","created_at":"2022-09-04T14:37:07.901023Z","updated_at":"2022-09-04T14:37:07.901056Z","structure_string":"Ba2 Bi2 O6\n1.0\n5.413396 -0.000000 3.125426\n1.804466 5.103798 3.125426\n-0.000000 -0.000000 6.250851\nBa Bi O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500000 0.500000 Bi\n0.250072 0.749929 0.749929 O\n0.250072 0.749929 0.250072 O\n0.749929 0.250072 0.749929 O\n0.250072 0.250072 0.749928 O\n0.749929 0.250072 0.250072 O\n0.749930 0.749929 0.250072 O\n","nsites":10,"nelements":3,"elements":["Ba","Bi","O"],"chemical_system":"Ba-Bi-O","density":7.582451065922563,"density_atomic":0.05790253503954513,"volume":172.704010164156,"volume_molar":10.400478590250179,"formula_full":"Ba2 Bi2 O6","formula_reduced":"BaBiO3","formula_anonymous":"ABC3","energy_above_hull":1.2815161539999995,"spacegroup":221},{"id":"jvasp-8330","created_at":"2022-09-04T14:37:06.135032Z","updated_at":"2022-09-04T14:37:06.135057Z","structure_string":"Y1 Mo1 O3\n1.0\n3.957969 0.000000 0.000000\n0.000000 3.957969 -0.000000\n0.000000 -0.000000 3.958330\nY Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Y","Mo","O"],"chemical_system":"Mo-O-Y","density":6.235301635629601,"density_atomic":0.08063307639554483,"volume":62.009292259575275,"volume_molar":7.4685737283028155,"formula_full":"Y1 Mo1 O3","formula_reduced":"YMoO3","formula_anonymous":"ABC3","energy_above_hull":2.96873637,"spacegroup":221},{"id":"jvasp-11575","created_at":"2022-09-04T14:37:17.591019Z","updated_at":"2022-09-04T14:37:17.591044Z","structure_string":"Mn2 Al2 O6\n1.0\n1.572332 -2.723359 0.000000\n1.572332 2.723359 0.000000\n0.000000 -0.000000 11.556509\nMn Al O\n2 2 6\ndirect\n0.666667 0.333332 0.750000 Mn\n0.333332 0.666667 0.250000 Mn\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.333332 0.666667 0.422148 O\n0.666667 0.333332 0.922148 O\n0.666667 0.333332 0.577852 O\n0.333332 0.666667 0.077852 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n","nsites":10,"nelements":3,"elements":["Mn","Al","O"],"chemical_system":"Al-Mn-O","density":4.359552282415267,"density_atomic":0.10104019933556184,"volume":98.9705094186253,"volume_molar":5.960143388078674,"formula_full":"Mn2 Al2 O6","formula_reduced":"MnAlO3","formula_anonymous":"ABC3","energy_above_hull":2.331364108275862,"spacegroup":194},{"id":"jvasp-36959","created_at":"2022-09-04T14:37:57.921152Z","updated_at":"2022-09-04T14:37:57.921172Z","structure_string":"Li2 Sn2 Cl6\n1.0\n-6.064390 0.000000 3.295070\n-3.927378 5.675387 0.000000\n-5.985376 0.054678 -3.787629\nLi Sn Cl\n2 2 6\ndirect\n0.306796 0.306796 0.079613 Li\n0.806796 0.806797 0.579613 Li\n0.008979 0.008980 0.973062 Sn\n0.508979 0.508980 0.473062 Sn\n0.581566 0.976585 0.287275 Cl\n0.154575 0.581566 0.287275 Cl\n0.976584 0.154575 0.287275 Cl\n0.654575 0.476584 0.787276 Cl\n0.476584 0.081566 0.787276 Cl\n0.081566 0.654576 0.787276 Cl\n","nsites":10,"nelements":3,"elements":["Li","Sn","Cl"],"chemical_system":"Cl-Li-Sn","density":3.1894446546291824,"density_atomic":0.041393225858894336,"volume":241.58542352048306,"volume_molar":14.548614260045637,"formula_full":"Li2 Sn2 Cl6","formula_reduced":"LiSnCl3","formula_anonymous":"ABC3","energy_above_hull":0.0183527805,"spacegroup":161},{"id":"jvasp-88015","created_at":"2022-09-04T14:37:52.244600Z","updated_at":"2022-09-04T14:37:52.244628Z","structure_string":"Ca4 Nb4 O12\n1.0\n5.537983 -0.000000 0.000000\n0.000000 5.717710 0.000000\n0.000000 0.000000 7.950385\nCa Nb O\n4 4 12\ndirect\n0.989146 0.946042 0.750000 Ca\n0.489147 0.553958 0.250000 Ca\n0.510853 0.446042 0.750000 Ca\n0.010853 0.053958 0.250000 Ca\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.407687 0.029493 0.750000 O\n0.907686 0.470507 0.250000 O\n0.802292 0.202493 0.548291 O\n0.802292 0.202493 0.951710 O\n0.302293 0.297507 0.048291 O\n0.697707 0.702493 0.548291 O\n0.197707 0.797507 0.451710 O\n0.197707 0.797507 0.048291 O\n0.697707 0.702493 0.951710 O\n0.302293 0.297507 0.451710 O\n0.592313 0.970507 0.250000 O\n0.092313 0.529493 0.750000 O\n","nsites":20,"nelements":3,"elements":["Ca","Nb","O"],"chemical_system":"Ca-Nb-O","density":4.775116384903869,"density_atomic":0.07944527872575098,"volume":251.74560805609337,"volume_molar":7.580237437127922,"formula_full":"Ca4 Nb4 O12","formula_reduced":"CaNbO3","formula_anonymous":"ABC3","energy_above_hull":2.017638064,"spacegroup":62},{"id":"jvasp-38372","created_at":"2022-09-04T14:37:51.139237Z","updated_at":"2022-09-04T14:37:51.139246Z","structure_string":"Nd1 Be1 O3\n1.0\n3.652334 0.000000 0.000000\n-0.000000 3.652334 -0.000000\n-0.000000 -0.000000 3.652334\nNd Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Be\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n","nsites":5,"nelements":3,"elements":["Nd","Be","O"],"chemical_system":"Be-Nd-O","density":6.859282160670146,"density_atomic":0.10262627027785333,"volume":48.7204688084528,"volume_molar":5.868030421153846,"formula_full":"Nd1 Be1 O3","formula_reduced":"NdBeO3","formula_anonymous":"ABC3","energy_above_hull":1.73272762,"spacegroup":221},{"id":"jvasp-37759","created_at":"2022-09-04T14:37:57.979842Z","updated_at":"2022-09-04T14:37:57.979857Z","structure_string":"K1 Ca1 O3\n1.0\n4.525302 -0.000000 0.000000\n0.000000 4.525320 0.000000\n0.000000 0.000000 4.525356\nK Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Ca","O"],"chemical_system":"Ca-K-O","density":2.278764913186026,"density_atomic":0.053953595535653064,"volume":92.6722297255602,"volume_molar":11.161704239007593,"formula_full":"K1 Ca1 O3","formula_reduced":"KCaO3","formula_anonymous":"ABC3","energy_above_hull":0.9954497839999996,"spacegroup":221},{"id":"jvasp-39003","created_at":"2022-09-04T14:37:58.601561Z","updated_at":"2022-09-04T14:37:58.601585Z","structure_string":"Tm1 Be1 O3\n1.0\n3.525128 0.000000 -0.000000\n-0.000000 3.525128 -0.000000\n0.000000 0.000000 3.525128\nTm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Be\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":["Tm","Be","O"],"chemical_system":"Be-O-Tm","density":8.564980427958638,"density_atomic":0.11414196132128875,"volume":43.8050997382629,"volume_molar":5.276009532593167,"formula_full":"Tm1 Be1 O3","formula_reduced":"TmBeO3","formula_anonymous":"ABC3","energy_above_hull":1.66802217,"spacegroup":221},{"id":"jvasp-39266","created_at":"2022-09-04T14:37:51.112250Z","updated_at":"2022-09-04T14:37:51.112270Z","structure_string":"Lu1 U1 O3\n1.0\n4.182288 -0.000000 0.000000\n0.000000 4.182288 0.000000\n-0.000000 -0.000000 4.182288\nLu U O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 U\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":["Lu","U","O"],"chemical_system":"Lu-O-U","density":10.464118919604863,"density_atomic":0.068348375519393,"volume":73.1546282117753,"volume_molar":8.810949366735558,"formula_full":"Lu1 U1 O3","formula_reduced":"LuUO3","formula_anonymous":"ABC3","energy_above_hull":2.5189864500000003,"spacegroup":221}]}