{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4334","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4332","results":[{"id":"jvasp-121051","created_at":"2022-09-04T14:38:26.053553Z","updated_at":"2022-09-04T14:38:26.053578Z","structure_string":"Ga1 P1 S4\n1.0\n3.909594 -4.161705 0.000000\n3.909594 4.161705 0.000000\n0.000000 0.000000 3.513703\nGa P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 P\n0.200085 0.200085 0.500000 S\n0.318889 0.681111 0.000000 S\n0.799914 0.799914 0.500000 S\n0.681111 0.318889 0.000000 S\n","nsites":6,"nelements":3,"elements":["Ga","P","S"],"chemical_system":"Ga-P-S","density":3.325098959824534,"density_atomic":0.05247509741751031,"volume":114.3399497148503,"volume_molar":11.47618786123584,"formula_full":"Ga1 P1 S4","formula_reduced":"GaPS4","formula_anonymous":"ABC4","energy_above_hull":1.867241304166667,"spacegroup":65},{"id":"jvasp-110195","created_at":"2022-09-04T14:38:20.056632Z","updated_at":"2022-09-04T14:38:20.056642Z","structure_string":"Nb1 Mo1 S4\n1.0\n3.285210 0.000000 0.000000\n-0.000000 5.454138 1.646116\n-0.000000 0.083964 6.356403\nNb Mo S\n1 1 4\ndirect\n0.500000 0.495994 0.001205 Nb\n0.000000 0.002420 0.000781 Mo\n0.000000 0.415381 0.740005 S\n0.500000 0.924612 0.746225 S\n0.500000 0.753594 0.255074 S\n0.000000 0.239995 0.260712 S\n","nsites":6,"nelements":3,"elements":["Nb","Mo","S"],"chemical_system":"Mo-Nb-S","density":4.6418196979791215,"density_atomic":0.052891445981183643,"volume":113.43989351575915,"volume_molar":11.385850109188548,"formula_full":"Nb1 Mo1 S4","formula_reduced":"NbMoS4","formula_anonymous":"ABC4","energy_above_hull":3.351680883333334,"spacegroup":6},{"id":"jvasp-117425","created_at":"2022-09-04T14:38:27.394201Z","updated_at":"2022-09-04T14:38:27.394226Z","structure_string":"Mn2 Nb2 O8\n1.0\n3.945003 0.000003 0.000010\n-0.000002 3.945005 -0.000038\n-0.000019 0.000079 9.525453\nMn Nb O\n2 2 8\ndirect\n-0.000002 0.500000 0.250000 Mn\n0.500002 0.000001 0.750000 Mn\n0.000002 -0.000002 -0.000001 Nb\n0.499997 0.500001 0.500001 Nb\n0.500000 0.999999 0.959578 O\n-0.000000 0.500001 0.459592 O\n0.499998 0.000001 0.540421 O\n0.000001 0.499999 0.040408 O\n-0.000001 0.000002 0.787667 O\n0.500001 0.500000 0.287669 O\n-0.000001 -0.000000 0.212331 O\n0.500001 0.500002 0.712332 O\n","nsites":12,"nelements":3,"elements":["Mn","Nb","O"],"chemical_system":"Mn-Nb-O","density":4.745813615986157,"density_atomic":0.0809469913990952,"volume":148.24516381141416,"volume_molar":7.439610362179952,"formula_full":"Mn2 Nb2 O8","formula_reduced":"MnNbO4","formula_anonymous":"ABC4","energy_above_hull":3.201613440229885,"spacegroup":119},{"id":"jvasp-109195","created_at":"2022-09-04T14:38:27.507303Z","updated_at":"2022-09-04T14:38:27.507324Z","structure_string":"Ce1 Pr1 O4\n1.0\n3.917111 0.000000 0.000000\n0.000000 3.917111 0.000000\n-0.000000 -0.000000 5.659085\nCe Pr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 0.762779 O\n-0.000000 0.500000 0.237222 O\n0.500000 0.000000 0.237222 O\n-0.000000 0.500000 0.762779 O\n","nsites":6,"nelements":3,"elements":["Ce","Pr","O"],"chemical_system":"Ce-O-Pr","density":6.598070745044086,"density_atomic":0.06909924090442249,"volume":86.83163405947037,"volume_molar":8.715205378782347,"formula_full":"Ce1 Pr1 O4","formula_reduced":"CePrO4","formula_anonymous":"ABC4","energy_above_hull":1.9554432250000005,"spacegroup":123},{"id":"jvasp-57281","created_at":"2022-09-04T14:38:34.613237Z","updated_at":"2022-09-04T14:38:34.613259Z","structure_string":"Al3 P3 O12\n1.0\n2.691752 -4.662251 -0.000000\n2.691752 4.662251 0.000000\n-0.000000 0.000000 10.883574\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.166667 Al\n0.500000 0.500000 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.705272 0.441967 0.933489 O\n0.441967 0.705272 0.399844 O\n0.736695 0.441967 0.066511 O\n0.441967 0.736695 0.266822 O\n0.294728 0.558032 0.933489 O\n0.263305 0.705272 0.600156 O\n0.263305 0.558032 0.066511 O\n0.705272 0.263305 0.733177 O\n0.736695 0.294727 0.600156 O\n0.558032 0.263305 0.266822 O\n0.558032 0.294728 0.399844 O\n0.294727 0.736695 0.733177 O\n","nsites":18,"nelements":3,"elements":["Al","P","O"],"chemical_system":"Al-O-P","density":2.2239768443864545,"density_atomic":0.06589315158201763,"volume":273.169511062091,"volume_molar":9.139251371979382,"formula_full":"Al3 P3 O12","formula_reduced":"AlPO4","formula_anonymous":"ABC4","energy_above_hull":2.567830383333334,"spacegroup":181},{"id":"jvasp-66111","created_at":"2022-09-04T14:36:05.006353Z","updated_at":"2022-09-04T14:36:05.006386Z","structure_string":"Ba4 Cd1 Ir1\n1.0\n0.000000 4.789353 4.789353\n4.789353 -0.000000 4.789353\n4.789353 4.789353 -0.000000\nBa Cd Ir\n4 1 1\ndirect\n0.121720 0.626093 0.626093 Ba\n0.626093 0.626093 0.626093 Ba\n0.626093 0.121720 0.626093 Ba\n0.626093 0.626093 0.121720 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ir\n","nsites":6,"nelements":3,"elements":["Ba","Cd","Ir"],"chemical_system":"Ba-Cd-Ir","density":6.453775896577538,"density_atomic":0.027308051350065747,"volume":219.715421034081,"volume_molar":22.052619876831677,"formula_full":"Ba4 Cd1 Ir1","formula_reduced":"Ba4CdIr","formula_anonymous":"ABC4","energy_above_hull":0.4444091216666664,"spacegroup":216},{"id":"jvasp-66469","created_at":"2022-09-04T14:36:05.036365Z","updated_at":"2022-09-04T14:36:05.036393Z","structure_string":"Ba4 Hg1 W1\n1.0\n0.000000 4.803284 4.803284\n4.803284 -0.000000 4.803284\n4.803284 4.803284 -0.000000\nBa Hg W\n4 1 1\ndirect\n0.123104 0.625631 0.625631 Ba\n0.625631 0.625631 0.625631 Ba\n0.625631 0.123104 0.625631 Ba\n0.625631 0.625631 0.123104 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","Hg","W"],"chemical_system":"Ba-Hg-W","density":6.995670383353233,"density_atomic":0.027071134584010833,"volume":221.6382908289264,"volume_molar":22.245616419626863,"formula_full":"Ba4 Hg1 W1","formula_reduced":"Ba4HgW","formula_anonymous":"ABC4","energy_above_hull":1.1794697466666664,"spacegroup":216},{"id":"jvasp-64826","created_at":"2022-09-04T14:36:08.088071Z","updated_at":"2022-09-04T14:36:08.088095Z","structure_string":"Ba4 Te1 Cl1\n1.0\n-0.000000 5.003536 5.003536\n5.003536 0.000000 5.003536\n5.003536 5.003536 0.000000\nBa Te Cl\n4 1 1\ndirect\n0.122501 0.625833 0.625833 Ba\n0.625833 0.625833 0.625833 Ba\n0.625833 0.122501 0.625833 Ba\n0.625833 0.625833 0.122501 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Cl\n","nsites":6,"nelements":3,"elements":["Ba","Te","Cl"],"chemical_system":"Ba-Cl-Te","density":4.721588671642728,"density_atomic":0.023949153534188538,"volume":250.53077518730336,"volume_molar":25.145526548164273,"formula_full":"Ba4 Te1 Cl1","formula_reduced":"Ba4TeCl","formula_anonymous":"ABC4","energy_above_hull":0.0712946516666666,"spacegroup":216},{"id":"jvasp-66305","created_at":"2022-09-04T14:36:04.967681Z","updated_at":"2022-09-04T14:36:04.967719Z","structure_string":"Ba4 Si1 Ge1\n1.0\n-0.000000 4.864083 4.864083\n4.864083 -0.000000 4.864083\n4.864083 4.864083 0.000000\nBa Si Ge\n4 1 1\ndirect\n0.124676 0.625108 0.625108 Ba\n0.625108 0.625108 0.625108 Ba\n0.625108 0.124676 0.625108 Ba\n0.625108 0.625108 0.124676 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ge\n","nsites":6,"nelements":3,"elements":["Ba","Si","Ge"],"chemical_system":"Ba-Ge-Si","density":4.6897739454961975,"density_atomic":0.02606863693220611,"volume":230.16163122005773,"volume_molar":23.101095679306635,"formula_full":"Ba4 Si1 Ge1","formula_reduced":"Ba4SiGe","formula_anonymous":"ABC4","energy_above_hull":0.6304147383333333,"spacegroup":216},{"id":"jvasp-64471","created_at":"2022-09-04T14:36:05.031724Z","updated_at":"2022-09-04T14:36:05.031760Z","structure_string":"Ba4 In1 Hg1\n1.0\n0.000000 5.049708 5.049708\n5.049708 -0.000000 5.049708\n5.049708 5.049708 0.000000\nBa In Hg\n4 1 1\ndirect\n0.124152 0.625283 0.625283 Ba\n0.625283 0.625283 0.625283 Ba\n0.625283 0.124152 0.625283 Ba\n0.625283 0.625283 0.124152 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Hg\n","nsites":6,"nelements":3,"elements":["Ba","In","Hg"],"chemical_system":"Ba-Hg-In","density":5.575628117580258,"density_atomic":0.02329820474774542,"volume":257.5305722034494,"volume_molar":25.84808926354193,"formula_full":"Ba4 In1 Hg1","formula_reduced":"Ba4InHg","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-62617","created_at":"2022-09-04T14:36:05.025375Z","updated_at":"2022-09-04T14:36:05.025392Z","structure_string":"U4 Co4 B16\n1.0\n3.400828 0.000000 0.000000\n0.000000 5.895643 0.000000\n0.000000 -0.000000 11.432086\nU Co B\n4 4 16\ndirect\n0.000000 0.126577 0.849678 U\n0.000000 0.873422 0.150322 U\n0.000000 0.373422 0.349678 U\n0.000000 0.626577 0.650322 U\n0.000000 0.132152 0.587742 Co\n0.000000 0.867847 0.412258 Co\n0.000000 0.367847 0.087742 Co\n0.000000 0.632152 0.912258 Co\n0.500000 0.526127 0.191883 B\n0.500000 0.473873 0.808118 B\n0.500000 0.886908 0.546160 B\n0.500000 0.113092 0.453841 B\n0.500000 0.613091 0.046160 B\n0.500000 0.386908 0.953841 B\n0.500000 0.864350 0.966396 B\n0.500000 0.783031 0.813510 B\n0.500000 0.635649 0.466396 B\n0.500000 0.364350 0.533605 B\n0.500000 0.026127 0.308118 B\n0.500000 0.216968 0.186490 B\n0.500000 0.716968 0.313510 B\n0.500000 0.283031 0.686490 B\n0.500000 0.135650 0.033604 B\n0.500000 0.973872 0.691883 B\n","nsites":24,"nelements":3,"elements":["U","Co","B"],"chemical_system":"B-Co-U","density":9.858477811834042,"density_atomic":0.10470560088752924,"volume":229.2140993085927,"volume_molar":5.751498209220682,"formula_full":"U4 Co4 B16","formula_reduced":"UCoB4","formula_anonymous":"ABC4","energy_above_hull":4.940402872222222,"spacegroup":55},{"id":"jvasp-66268","created_at":"2022-09-04T14:36:08.094683Z","updated_at":"2022-09-04T14:36:08.094711Z","structure_string":"Ba4 Sb1 Rh1\n1.0\n0.000000 4.810172 4.810172\n4.810172 0.000000 4.810172\n4.810172 4.810172 0.000000\nBa Sb Rh\n4 1 1\ndirect\n0.125146 0.624951 0.624951 Ba\n0.624951 0.624951 0.624951 Ba\n0.624951 0.125146 0.624951 Ba\n0.624951 0.624951 0.125146 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n","nsites":6,"nelements":3,"elements":["Ba","Sb","Rh"],"chemical_system":"Ba-Rh-Sb","density":5.773821788831339,"density_atomic":0.026955006248286294,"volume":222.5931593090044,"volume_molar":22.34145562619881,"formula_full":"Ba4 Sb1 Rh1","formula_reduced":"Ba4SbRh","formula_anonymous":"ABC4","energy_above_hull":0.71872383,"spacegroup":216}]}