{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3413","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3411","results":[{"id":"jvasp-46716","created_at":"2022-09-04T14:38:18.197426Z","updated_at":"2022-09-04T14:38:18.197446Z","structure_string":"Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n","nsites":13,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.989451930365447,"density_atomic":0.07629346920902949,"volume":170.39466332802996,"volume_molar":7.893389594724664,"formula_full":"Li1 Mn2 P2 O8","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":3.091887960212202,"spacegroup":5},{"id":"jvasp-108944","created_at":"2022-09-04T14:38:27.402894Z","updated_at":"2022-09-04T14:38:27.402922Z","structure_string":"Cr2 Fe2 Ge4\n1.0\n4.688173 -0.000000 0.000000\n0.000000 4.731466 0.000368\n-0.000000 -0.006772 4.727188\nCr Fe Ge\n2 2 4\ndirect\n0.635058 0.627119 0.892441 Cr\n0.135058 0.372882 0.107560 Cr\n0.365710 0.862293 0.381611 Fe\n0.865710 0.137708 0.618390 Fe\n0.342018 0.337866 0.587087 Ge\n0.842018 0.662135 0.412914 Ge\n0.657213 0.152262 0.096517 Ge\n0.157213 0.847739 0.903484 Ge\n","nsites":8,"nelements":3,"elements":["Cr","Fe","Ge"],"chemical_system":"Cr-Fe-Ge","density":8.016876002442604,"density_atomic":0.07629353026493574,"volume":104.85817044013199,"volume_molar":7.893383277831826,"formula_full":"Cr2 Fe2 Ge4","formula_reduced":"CrFeGe2","formula_anonymous":"ABC2","energy_above_hull":2.4498787,"spacegroup":4},{"id":"jvasp-46010","created_at":"2022-09-04T14:38:08.008407Z","updated_at":"2022-09-04T14:38:08.008430Z","structure_string":"Sc2 In2 O6\n1.0\n3.457383 0.000052 0.000021\n-1.728647 2.994114 0.000019\n0.000077 0.000125 12.661477\nSc In O\n2 2 6\ndirect\n0.333316 0.666605 0.749999 Sc\n0.666660 0.333281 0.250001 Sc\n-0.000004 0.000157 0.000001 In\n0.000018 0.999851 0.499999 In\n0.000015 0.999958 0.250002 O\n0.999960 0.999930 0.749999 O\n0.333343 0.666518 0.582111 O\n0.333325 0.666804 0.917888 O\n0.666689 0.333200 0.417887 O\n0.666664 0.333480 0.082113 O\n","nsites":10,"nelements":3,"elements":["Sc","In","O"],"chemical_system":"In-O-Sc","density":5.264563662343729,"density_atomic":0.076294992432794,"volume":131.0702010857227,"volume_molar":7.893232003797268,"formula_full":"Sc2 In2 O6","formula_reduced":"ScInO3","formula_anonymous":"ABC3","energy_above_hull":1.452101144,"spacegroup":194},{"id":"jvasp-95353","created_at":"2022-09-04T14:35:46.295075Z","updated_at":"2022-09-04T14:35:46.295096Z","structure_string":"K2 Ba1 Co1 N6 O12\n1.0\n6.421903 -0.000000 3.707688\n2.140635 6.054629 3.707688\n-0.000000 -0.000000 7.415375\nK Ba Co N O\n2 1 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Co\n0.185259 0.814740 0.185261 N\n0.814739 0.185260 0.814741 N\n0.814739 0.185260 0.185261 N\n0.814739 0.814740 0.185261 N\n0.185259 0.814740 0.814741 N\n0.185260 0.185260 0.814741 N\n0.350902 0.143132 0.649099 O\n0.143131 0.856868 0.649099 O\n0.350901 0.649098 0.856869 O\n0.649097 0.856868 0.350903 O\n0.856867 0.649098 0.143133 O\n0.856867 0.350902 0.649099 O\n0.350901 0.856868 0.143133 O\n0.649097 0.350902 0.143132 O\n0.856868 0.143132 0.350903 O\n0.143132 0.350902 0.856869 O\n0.649098 0.143132 0.856869 O\n0.143131 0.649098 0.350903 O\n","nsites":22,"nelements":5,"elements":["K","Ba","Co","N","O"],"chemical_system":"Ba-Co-K-N-O","density":3.1703993716968006,"density_atomic":0.07630241507822631,"volume":288.3263914706407,"volume_molar":7.892464155723009,"formula_full":"K2 Ba1 Co1 N6 O12","formula_reduced":"K2BaCo(NO2)6","formula_anonymous":"ABC2D6E12","energy_above_hull":3.483002925909091,"spacegroup":202},{"id":"jvasp-97001","created_at":"2022-09-04T14:36:08.847195Z","updated_at":"2022-09-04T14:36:08.847221Z","structure_string":"Ca4 Al4 B4 O16\n1.0\n5.799868 0.000000 0.000000\n0.000000 7.286398 -3.956868\n0.000000 -0.001622 8.684237\nCa Al B O\n4 4 4 16\ndirect\n0.011328 0.949924 0.185383 Ca\n0.511329 0.764542 0.814618 Ca\n0.011328 0.050076 0.814618 Ca\n0.511329 0.235459 0.185383 Ca\n0.739408 0.278817 0.587875 Al\n0.739408 0.721184 0.412125 Al\n0.239408 0.690942 0.412125 Al\n0.239408 0.309059 0.587875 Al\n0.474912 0.846754 0.218951 B\n0.974912 0.372197 0.218951 B\n0.974912 0.627803 0.781050 B\n0.474912 0.153247 0.781050 B\n0.779505 0.517483 0.736189 O\n0.942914 0.812250 0.884551 O\n0.493166 0.265102 0.465608 O\n0.442913 0.072302 0.884551 O\n0.993166 0.200507 0.465608 O\n0.279505 0.218706 0.736189 O\n0.442913 0.927699 0.115449 O\n0.993166 0.799494 0.534392 O\n0.692469 0.829326 0.277375 O\n0.692469 0.170674 0.722626 O\n0.192468 0.551952 0.722626 O\n0.192468 0.448049 0.277375 O\n0.279505 0.781294 0.263811 O\n0.779505 0.482517 0.263811 O\n0.493166 0.734899 0.534392 O\n0.942914 0.187751 0.115449 O\n","nsites":28,"nelements":4,"elements":["Ca","Al","B","O"],"chemical_system":"Al-B-Ca-O","density":2.5678836657837696,"density_atomic":0.0763026140613585,"volume":366.9599049055369,"volume_molar":7.892443573633421,"formula_full":"Ca4 Al4 B4 O16","formula_reduced":"CaAlBO4","formula_anonymous":"ABCD4","energy_above_hull":2.057714257619048,"spacegroup":37},{"id":"jvasp-119724","created_at":"2022-09-04T14:38:51.856300Z","updated_at":"2022-09-04T14:38:51.856330Z","structure_string":"Na8 Fe4 O12\n1.0\n5.384093 0.000439 -0.000009\n-2.692244 5.239964 -0.000082\n-0.000014 0.000243 11.148380\nNa Fe O\n8 4 12\ndirect\n0.038123 0.075851 0.144785 Na\n0.461877 0.924144 0.644784 Na\n0.538122 0.075853 0.355217 Na\n0.961874 0.924149 0.855215 Na\n0.131536 0.263391 0.577938 Na\n0.368467 0.736609 0.077938 Na\n0.868465 0.736608 0.422062 Na\n0.631531 0.263390 0.922062 Na\n0.244357 0.488567 0.344192 Fe\n0.744358 0.488566 0.155806 Fe\n0.255642 0.511432 0.844193 Fe\n0.755644 0.511431 0.655809 Fe\n0.656388 0.312695 0.531147 O\n0.053331 0.606424 0.249961 O\n0.553327 0.606417 0.250038 O\n0.446672 0.393587 0.749962 O\n0.946671 0.393574 0.750040 O\n0.078781 0.157620 0.359113 O\n0.421216 0.842376 0.859113 O\n0.578783 0.157618 0.140888 O\n0.921223 0.842379 0.640886 O\n0.343615 0.687304 0.468853 O\n0.156390 0.312696 0.968853 O\n0.843613 0.687305 0.031146 O\n","nsites":24,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":3.1638508855719114,"density_atomic":0.07630279181762034,"volume":314.5363285967967,"volume_molar":7.89242518726468,"formula_full":"Na8 Fe4 O12","formula_reduced":"Na2FeO3","formula_anonymous":"AB2C3","energy_above_hull":1.4458056666666668,"spacegroup":64},{"id":"jvasp-112335","created_at":"2022-09-04T14:38:26.338084Z","updated_at":"2022-09-04T14:38:26.338100Z","structure_string":"Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n","nsites":14,"nelements":3,"elements":["Ca","Ga","H"],"chemical_system":"Ca-Ga-H","density":2.0786876137761268,"density_atomic":0.07630312761406059,"volume":183.47871755416983,"volume_molar":7.892390454110668,"formula_full":"Ca2 Ga2 H10","formula_reduced":"CaGaH5","formula_anonymous":"ABC5","energy_above_hull":1.9194575350000005,"spacegroup":4},{"id":"jvasp-41589","created_at":"2022-09-04T14:37:35.391478Z","updated_at":"2022-09-04T14:37:35.391492Z","structure_string":"V2 Cr1 Os1\n1.0\n0.000000 2.970495 2.970495\n2.970495 -0.000000 2.970495\n2.970495 2.970495 -0.000000\nV Cr Os\n2 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Os\n","nsites":4,"nelements":3,"elements":["V","Cr","Os"],"chemical_system":"Cr-Os-V","density":10.900057336825713,"density_atomic":0.07630333472392278,"volume":52.42234843958808,"volume_molar":7.892369031824144,"formula_full":"V2 Cr1 Os1","formula_reduced":"V2CrOs","formula_anonymous":"ABC2","energy_above_hull":4.783817700000001,"spacegroup":225},{"id":"jvasp-74434","created_at":"2022-09-04T14:36:18.123417Z","updated_at":"2022-09-04T14:36:18.123434Z","structure_string":"Zr1 Be2 Cu1\n1.0\n-2.100297 2.100297 2.970918\n2.100297 -2.100297 2.970918\n2.100297 2.100297 -2.970918\nZr Be Cu\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Zr","Be","Cu"],"chemical_system":"Be-Cu-Zr","density":5.473518497266851,"density_atomic":0.0763041064334615,"volume":52.421818260699624,"volume_molar":7.892289211526788,"formula_full":"Zr1 Be2 Cu1","formula_reduced":"ZrBe2Cu","formula_anonymous":"ABC2","energy_above_hull":1.8816392875,"spacegroup":216},{"id":"jvasp-50455","created_at":"2022-09-04T14:37:28.913927Z","updated_at":"2022-09-04T14:37:28.913965Z","structure_string":"Lu4 Te2 O12\n1.0\n0.000000 4.889873 -0.000032\n9.865599 0.000000 0.000000\n-0.000000 -0.000053 -4.889867\nLu Te O\n4 2 12\ndirect\n0.000000 0.334558 -0.000000 Lu\n-0.000000 0.665442 0.000000 Lu\n0.500000 0.165443 0.500000 Lu\n0.500000 0.834558 0.500000 Lu\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.216728 0.500000 0.783161 O\n0.716807 0.000000 0.716760 O\n0.685597 0.649639 0.685681 O\n0.685597 0.350361 0.685681 O\n0.314403 0.649639 0.314319 O\n0.783273 0.500000 0.216839 O\n0.283193 0.000000 0.283240 O\n0.185652 0.149639 0.814375 O\n0.814348 0.850362 0.185625 O\n0.814348 0.149639 0.185625 O\n0.314403 0.350361 0.314319 O\n0.185652 0.850362 0.814375 O\n","nsites":18,"nelements":3,"elements":["Lu","Te","O"],"chemical_system":"Lu-O-Te","density":8.074533674783336,"density_atomic":0.07630524997443634,"volume":235.89464690870327,"volume_molar":7.892170934526167,"formula_full":"Lu4 Te2 O12","formula_reduced":"Lu2TeO6","formula_anonymous":"AB2C6","energy_above_hull":2.068568918518519,"spacegroup":136},{"id":"jvasp-71635","created_at":"2022-09-04T14:36:12.450660Z","updated_at":"2022-09-04T14:36:12.450680Z","structure_string":"Be1 In1 Fe2\n1.0\n3.662615 -0.000000 0.000000\n0.000000 3.662615 0.000000\n-0.000000 -0.000000 3.907709\nBe In Fe\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Be\n0.000000 0.000000 0.500000 In\n0.000000 0.499999 0.000000 Fe\n0.499999 0.000000 0.000000 Fe\n","nsites":4,"nelements":3,"elements":["Be","In","Fe"],"chemical_system":"Be-Fe-In","density":7.46057793029272,"density_atomic":0.07630539358652265,"volume":52.42093398632958,"volume_molar":7.892156080908616,"formula_full":"Be1 In1 Fe2","formula_reduced":"BeInFe2","formula_anonymous":"ABC2","energy_above_hull":2.1110992674999998,"spacegroup":123},{"id":"jvasp-78869","created_at":"2022-09-04T14:36:40.481861Z","updated_at":"2022-09-04T14:36:40.481882Z","structure_string":"Cd1 O2\n1.0\n-1.739847 -3.013793 0.000170\n-1.740097 3.013938 -0.000000\n0.000246 0.000142 -3.748570\nCd O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333414 0.666708 0.266765 O\n0.666586 0.333293 0.733235 O\n","nsites":3,"nelements":2,"elements":["Cd","O"],"chemical_system":"Cd-O","density":6.099356513415341,"density_atomic":0.07630614435149871,"volume":39.31531366832949,"volume_molar":7.892078431141071,"formula_full":"Cd1 O2","formula_reduced":"CdO2","formula_anonymous":"AB2","energy_above_hull":1.0947650833333338,"spacegroup":164}]}