{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=4418","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=4416","results":[{"id":"jvasp-66298","created_at":"2022-09-04T14:35:56.812789Z","updated_at":"2022-09-04T14:35:56.812820Z","structure_string":"Ba1 Na1 Zr1\n1.0\n0.000000 3.838017 3.838017\n3.838017 0.000000 3.838017\n3.838017 3.838017 0.000000\nBa Na Zr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zr\n","nsites":3,"nelements":3,"elements":["Ba","Na","Zr"],"chemical_system":"Ba-Na-Zr","density":3.694084321049171,"density_atomic":0.02653203593838709,"volume":113.07085543554308,"volume_molar":22.69762024288172,"formula_full":"Ba1 Na1 Zr1","formula_reduced":"BaNaZr","formula_anonymous":"ABC","energy_above_hull":1.425193156666667,"spacegroup":216},{"id":"jvasp-78370","created_at":"2022-09-04T14:37:57.269370Z","updated_at":"2022-09-04T14:37:57.269399Z","structure_string":"Rb1 S1\n1.0\n-3.352851 -3.352851 -0.000000\n-3.352851 0.000000 -3.352851\n-0.000000 -3.352851 -3.352851\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 S\n","nsites":2,"nelements":2,"elements":["Rb","S"],"chemical_system":"Rb-S","density":2.5890201030536026,"density_atomic":0.026531221065858333,"volume":75.38288550818709,"volume_molar":22.69831737126334,"formula_full":"Rb1 S1","formula_reduced":"RbS","formula_anonymous":"AB","energy_above_hull":0.3510175,"spacegroup":225},{"id":"jvasp-87957","created_at":"2022-09-04T14:35:52.480567Z","updated_at":"2022-09-04T14:35:52.480585Z","structure_string":"Tl8 Hg2 I12\n1.0\n9.305157 -0.000000 0.000000\n-0.000000 9.440187 0.000000\n0.000000 0.000000 9.440187\nTl Hg I\n8 2 12\ndirect\n0.250000 0.351978 0.851978 Tl\n0.250000 0.851978 0.648023 Tl\n0.250000 0.648023 0.148022 Tl\n0.750000 0.648023 0.148022 Tl\n0.750000 0.851978 0.648023 Tl\n0.750000 0.148022 0.351978 Tl\n0.750000 0.351978 0.851978 Tl\n0.250000 0.148022 0.351978 Tl\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.204468 0.500000 0.500000 I\n0.500000 0.358365 0.171488 I\n0.795532 0.500000 0.500000 I\n0.000000 0.328513 0.141635 I\n0.000000 0.858365 0.328513 I\n0.000000 0.141635 0.671488 I\n0.000000 0.671488 0.858365 I\n0.500000 0.828513 0.358365 I\n0.500000 0.171488 0.641636 I\n0.500000 0.641636 0.828513 I\n0.704468 0.000000 0.000000 I\n0.295532 0.000000 0.000000 I\n","nsites":22,"nelements":3,"elements":["Tl","Hg","I"],"chemical_system":"Hg-I-Tl","density":7.126961179444861,"density_atomic":0.026530032446828958,"volume":829.2488915756899,"volume_molar":22.69933431883083,"formula_full":"Tl8 Hg2 I12","formula_reduced":"Tl4HgI6","formula_anonymous":"AB4C6","energy_above_hull":0.0,"spacegroup":128},{"id":"jvasp-69042","created_at":"2022-09-04T14:36:22.022463Z","updated_at":"2022-09-04T14:36:22.022490Z","structure_string":"Ba2 Hf1 Te1\n1.0\n-0.000000 4.224422 4.224422\n4.224422 0.000000 4.224422\n4.224422 4.224422 0.000000\nBa Hf Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Te\n","nsites":4,"nelements":3,"elements":["Ba","Hf","Te"],"chemical_system":"Ba-Hf-Te","density":6.395904143962536,"density_atomic":0.026529441582329127,"volume":150.77588375114317,"volume_molar":22.699839879069522,"formula_full":"Ba2 Hf1 Te1","formula_reduced":"Ba2HfTe","formula_anonymous":"ABC2","energy_above_hull":1.4845356766666664,"spacegroup":225},{"id":"jvasp-66680","created_at":"2022-09-04T14:35:51.497034Z","updated_at":"2022-09-04T14:35:51.497059Z","structure_string":"Ba4 V1 Pd1\n1.0\n0.000000 4.836019 4.836019\n4.836019 -0.000000 4.836019\n4.836019 4.836019 0.000000\nBa V Pd\n4 1 1\ndirect\n0.126079 0.624641 0.624641 Ba\n0.624641 0.624641 0.624641 Ba\n0.624641 0.126079 0.624641 Ba\n0.624641 0.624641 0.126079 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pd\n","nsites":6,"nelements":3,"elements":["Ba","V","Pd"],"chemical_system":"Ba-Pd-V","density":5.187659393781126,"density_atomic":0.026525114013056208,"volume":226.2007242286188,"volume_molar":22.703543355311417,"formula_full":"Ba4 V1 Pd1","formula_reduced":"Ba4VPd","formula_anonymous":"ABC4","energy_above_hull":1.1260789633333332,"spacegroup":216},{"id":"jvasp-102362","created_at":"2022-09-04T14:37:02.284147Z","updated_at":"2022-09-04T14:37:02.284155Z","structure_string":"K2 Sc1 Tl1 Br6\n1.0\n7.022468 -0.000000 4.054424\n2.340823 6.620846 4.054424\n-0.000000 -0.000000 8.108847\nK Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.769950 0.230050 0.230050 Br\n0.230050 0.230050 0.769950 Br\n0.230050 0.769950 0.769949 Br\n0.230050 0.769950 0.230050 Br\n0.769950 0.230050 0.769949 Br\n0.769949 0.769950 0.230050 Br\n","nsites":10,"nelements":4,"elements":["K","Sc","Tl","Br"],"chemical_system":"Br-K-Sc-Tl","density":3.5541736498353593,"density_atomic":0.026523915681922656,"volume":377.0182396868155,"volume_molar":22.704569084814217,"formula_full":"K2 Sc1 Tl1 Br6","formula_reduced":"K2ScTlBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-64356","created_at":"2022-09-04T14:36:13.691519Z","updated_at":"2022-09-04T14:36:13.691553Z","structure_string":"Ba4 Mn1 Ni1\n1.0\n-0.000000 4.836123 4.836123\n4.836123 -0.000000 4.836123\n4.836123 4.836123 -0.000000\nBa Mn Ni\n4 1 1\ndirect\n0.124545 0.625151 0.625151 Ba\n0.625151 0.625151 0.625151 Ba\n0.625151 0.124545 0.625151 Ba\n0.625151 0.625151 0.124545 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n","nsites":6,"nelements":3,"elements":["Ba","Mn","Ni"],"chemical_system":"Ba-Mn-Ni","density":4.866323185161907,"density_atomic":0.02652340279570237,"volume":226.21531808023477,"volume_molar":22.705008125789114,"formula_full":"Ba4 Mn1 Ni1","formula_reduced":"Ba4MnNi","formula_anonymous":"ABC4","energy_above_hull":1.0285622535632182,"spacegroup":216},{"id":"jvasp-12538","created_at":"2022-09-04T14:38:09.017438Z","updated_at":"2022-09-04T14:38:09.017465Z","structure_string":"In2 Pb4 I10\n1.0\n7.969657 -0.000000 -4.041905\n-2.049899 7.701516 -4.041905\n-0.014835 -0.019301 9.848817\nIn Pb I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500001 In\n0.160185 0.660185 0.000001 Pb\n0.839815 0.339815 0.000001 Pb\n0.660185 0.839815 0.000001 Pb\n0.339815 0.160185 0.000000 Pb\n0.797894 0.297894 0.284996 I\n0.202106 0.702107 0.715006 I\n0.487102 0.987102 0.284996 I\n0.512898 0.012899 0.715005 I\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.702106 0.512899 0.715006 I\n0.297893 0.487102 0.284996 I\n0.012898 0.202107 0.715005 I\n0.987102 0.797894 0.284996 I\n","nsites":16,"nelements":3,"elements":["In","Pb","I"],"chemical_system":"I-In-Pb","density":6.406628135195295,"density_atomic":0.026522491165975548,"volume":603.2615827779272,"volume_molar":22.705788541181683,"formula_full":"In2 Pb4 I10","formula_reduced":"InPb2I5","formula_anonymous":"AB2C5","energy_above_hull":0.0,"spacegroup":140},{"id":"jvasp-66407","created_at":"2022-09-04T14:35:46.302707Z","updated_at":"2022-09-04T14:35:46.302732Z","structure_string":"Ba4 Fe1 Si1\n1.0\n-0.000000 4.836247 4.836247\n4.836247 0.000000 4.836247\n4.836247 4.836247 0.000000\nBa Fe Si\n4 1 1\ndirect\n0.124108 0.625298 0.625298 Ba\n0.625298 0.625298 0.625298 Ba\n0.625298 0.124108 0.625298 Ba\n0.625298 0.625298 0.124108 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Ba","Fe","Si"],"chemical_system":"Ba-Fe-Si","density":4.647945138770025,"density_atomic":0.02652136269045906,"volume":226.23271926213928,"volume_molar":22.7067546652361,"formula_full":"Ba4 Fe1 Si1","formula_reduced":"Ba4FeSi","formula_anonymous":"ABC4","energy_above_hull":1.2210479966666663,"spacegroup":216},{"id":"jvasp-66631","created_at":"2022-09-04T14:36:16.584042Z","updated_at":"2022-09-04T14:36:16.584077Z","structure_string":"Ba4 Ta1 Nb1\n1.0\n-0.000000 4.836299 4.836299\n4.836299 0.000000 4.836299\n4.836299 4.836299 -0.000000\nBa Ta Nb\n4 1 1\ndirect\n0.124633 0.625122 0.625122 Ba\n0.625122 0.625122 0.625122 Ba\n0.625122 0.124633 0.625122 Ba\n0.625122 0.625122 0.124633 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Nb\n","nsites":6,"nelements":3,"elements":["Ba","Ta","Nb"],"chemical_system":"Ba-Nb-Ta","density":6.041783015353929,"density_atomic":0.026520507224720654,"volume":226.24001679753692,"volume_molar":22.707487111658864,"formula_full":"Ba4 Ta1 Nb1","formula_reduced":"Ba4TaNb","formula_anonymous":"ABC4","energy_above_hull":2.3288887466666663,"spacegroup":216},{"id":"jvasp-63977","created_at":"2022-09-04T14:36:02.822756Z","updated_at":"2022-09-04T14:36:02.822784Z","structure_string":"Ba4 Ti1 W1\n1.0\n-0.000000 4.836362 4.836362\n4.836362 -0.000000 4.836362\n4.836362 4.836362 -0.000000\nBa Ti W\n4 1 1\ndirect\n0.123317 0.625561 0.625561 Ba\n0.625561 0.625561 0.625561 Ba\n0.625561 0.123317 0.625561 Ba\n0.625561 0.625561 0.123317 Ba\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 W\n","nsites":6,"nelements":3,"elements":["Ba","Ti","W"],"chemical_system":"Ba-Ti-W","density":5.732209784911974,"density_atomic":0.026519470844364318,"volume":226.2488582525796,"volume_molar":22.708374519772036,"formula_full":"Ba4 Ti1 W1","formula_reduced":"Ba4TiW","formula_anonymous":"ABC4","energy_above_hull":2.2595787022222225,"spacegroup":216},{"id":"jvasp-69243","created_at":"2022-09-04T14:35:45.094577Z","updated_at":"2022-09-04T14:35:45.094606Z","structure_string":"Ba2 Cd1 Sn1\n1.0\n0.000000 4.224966 4.224966\n4.224966 0.000000 4.224966\n4.224966 4.224966 -0.000000\nBa Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ba","Cd","Sn"],"chemical_system":"Ba-Cd-Sn","density":5.568097168131772,"density_atomic":0.026519195233797494,"volume":150.83413975180454,"volume_molar":22.708610524971963,"formula_full":"Ba2 Cd1 Sn1","formula_reduced":"Ba2CdSn","formula_anonymous":"ABC2","energy_above_hull":0.0066325,"spacegroup":225}]}