{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=20","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density_atomic&page=18","results":[{"id":"mp-1093817","created_at":"2022-09-04T14:48:17.612484Z","structure_string":"Cs2 Hg1 Au1\n1.0\n-6.697491 7.474480 9.449568\n6.697491 -7.474480 9.449568\n6.697491 7.474480 -9.449568\nCs Hg Au\n2 1 1\ndirect\n0.775881 0.000000 0.775881 Cs\n0.224119 0.000000 0.224119 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Cs","Hg","Au"],"chemical_system":"Au-Cs-Hg","density":0.5821544230414218,"density_atomic":0.002113951029902571,"volume":1892.191419488253,"volume_molar":284.87607682556165,"formula_full":"Cs2 Hg1 Au1","formula_reduced":"Cs2HgAu","formula_anonymous":"ABC2","energy":-4.51303876,"energy_per_atom":-1.12825969,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.51303876,"band_gap":0.0933999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9996303,"is_theoretical":true,"updated_at":"2021-11-28T01:38:53.676000Z","spacegroup":71},{"id":"mp-1096031","created_at":"2022-09-04T14:41:18.384171Z","structure_string":"Ba2 Tl1 Au1\n1.0\n-6.443685 7.192707 10.172107\n6.443685 -7.192707 10.172107\n6.443685 7.192707 -10.172107\nBa Tl Au\n2 1 1\ndirect\n0.000000 0.239943 0.239943 Ba\n0.000000 0.760057 0.760057 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Au"],"chemical_system":"Au-Ba-Tl","density":0.5952517717279715,"density_atomic":0.0021211061785943864,"volume":1885.8084712433952,"volume_molar":283.9151015057035,"formula_full":"Ba2 Tl1 Au1","formula_reduced":"Ba2TlAu","formula_anonymous":"ABC2","energy":-6.14991754,"energy_per_atom":-1.537479385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.14991754,"band_gap":0.0187000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001138,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.267000Z","spacegroup":71},{"id":"mp-1093672","created_at":"2022-09-04T14:39:16.487110Z","structure_string":"Ba2 Cd1 In1\n1.0\n-6.792592 7.120712 9.734589\n6.792592 -7.120712 9.734589\n6.792592 7.120712 -9.734589\nBa Cd In\n2 1 1\ndirect\n0.736881 0.000000 0.736881 Ba\n0.263119 0.000000 0.263119 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Ba","Cd","In"],"chemical_system":"Ba-Cd-In","density":0.4425017791386481,"density_atomic":0.002123847989626484,"volume":1883.3739606305207,"volume_molar":283.5485773658924,"formula_full":"Ba2 Cd1 In1","formula_reduced":"Ba2CdIn","formula_anonymous":"ABC2","energy":-3.18488725,"energy_per_atom":-0.7962218125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.18488725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3096606,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.551000Z","spacegroup":71},{"id":"mp-1093785","created_at":"2022-09-04T14:48:28.700892Z","structure_string":"Ba2 Tl1 In1\n1.0\n-6.386570 7.218102 10.204812\n6.386570 -7.218102 10.204812\n6.386570 7.218102 -10.204812\nBa Tl In\n2 1 1\ndirect\n0.000000 0.249844 0.249844 Ba\n0.000000 0.750156 0.750156 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n","nsites":4,"nelements":3,"elements":["Ba","Tl","In"],"chemical_system":"Ba-In-Tl","density":0.5240515902515852,"density_atomic":0.0021257113933899428,"volume":1881.7229904484198,"volume_molar":283.300017995213,"formula_full":"Ba2 Tl1 In1","formula_reduced":"Ba2TlIn","formula_anonymous":"ABC2","energy":-4.52128618,"energy_per_atom":-1.130321545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52128618,"band_gap":0.6467000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.234000Z","spacegroup":71},{"id":"mp-1097309","created_at":"2022-09-04T14:48:11.098255Z","structure_string":"Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","In","Hg"],"chemical_system":"Ba-Hg-In","density":0.5207355583039572,"density_atomic":0.002125839543591916,"volume":1881.6095561198456,"volume_molar":283.28294005787075,"formula_full":"Ba2 In1 Hg1","formula_reduced":"Ba2InHg","formula_anonymous":"ABC2","energy":-3.05814698,"energy_per_atom":-0.764536745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.05814698,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2287469,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.337000Z","spacegroup":71},{"id":"mp-1096364","created_at":"2022-09-04T14:39:17.344997Z","structure_string":"Ca1 La1 Ga2\n1.0\n-5.909027 7.302508 10.892328\n5.909027 -7.302508 10.892328\n5.909027 7.302508 -10.892328\nCa La Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.257781 0.257781 Ga\n0.000000 0.742219 0.742219 Ga\n","nsites":4,"nelements":3,"elements":["Ca","La","Ga"],"chemical_system":"Ca-Ga-La","density":0.2812507139482878,"density_atomic":0.0021276063284373795,"volume":1880.0470493701716,"volume_molar":283.0476991682461,"formula_full":"Ca1 La1 Ga2","formula_reduced":"CaLaGa2","formula_anonymous":"ABC2","energy":-6.61005341,"energy_per_atom":-1.6525133525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.61005341,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1155076,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.285000Z","spacegroup":71},{"id":"mp-1097272","created_at":"2022-09-04T14:39:28.590871Z","structure_string":"Sr2 Li1 Mg1\n1.0\n-6.712454 7.375467 9.493325\n6.712454 -7.375467 9.493325\n6.712454 7.375467 -9.493325\nSr Li Mg\n2 1 1\ndirect\n0.753374 0.000000 0.753374 Sr\n0.246626 0.000000 0.246626 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n","nsites":4,"nelements":3,"elements":["Sr","Li","Mg"],"chemical_system":"Li-Mg-Sr","density":0.18238558969904387,"density_atomic":0.002127702012035324,"volume":1879.9625029134916,"volume_molar":283.0349704016739,"formula_full":"Sr2 Li1 Mg1","formula_reduced":"Sr2LiMg","formula_anonymous":"ABC2","energy":-1.86530284,"energy_per_atom":-0.46632571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.86530284,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0070063,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.555000Z","spacegroup":71},{"id":"mp-1097112","created_at":"2022-09-04T14:48:12.771373Z","structure_string":"Ba1 Na1 Tl2\n1.0\n-6.315357 7.230269 10.286425\n6.315357 -7.230269 10.286425\n6.315357 7.230269 -10.286425\nBa Na Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.243371 0.243371 Tl\n0.000000 0.756629 0.756629 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Na","Tl"],"chemical_system":"Ba-Na-Tl","density":0.502977056700438,"density_atomic":0.002129036832954414,"volume":1878.7838416347613,"volume_molar":282.8575187984521,"formula_full":"Ba1 Na1 Tl2","formula_reduced":"BaNaTl2","formula_anonymous":"ABC2","energy":-3.8967858,"energy_per_atom":-0.97419645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.8967858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9998995,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.763000Z","spacegroup":71},{"id":"mp-1095859","created_at":"2022-09-04T14:41:51.930607Z","structure_string":"Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Al","Tl"],"chemical_system":"Al-Ba-Tl","density":0.44737892621343994,"density_atomic":0.0021297063762290057,"volume":1878.1931841152,"volume_molar":282.76859323035825,"formula_full":"Ba2 Al1 Tl1","formula_reduced":"Ba2AlTl","formula_anonymous":"ABC2","energy":-4.52139518,"energy_per_atom":-1.130348795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52139518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.8591351,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.120000Z","spacegroup":71},{"id":"mp-1097243","created_at":"2022-09-04T14:47:01.446076Z","structure_string":"K1 Ba1 Hg2\n1.0\n-6.776174 7.248446 9.558704\n6.776174 -7.248446 9.558704\n6.776174 7.248446 -9.558704\nK Ba Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ba\n0.752628 0.000000 0.752628 Hg\n0.247372 0.000000 0.247372 Hg\n","nsites":4,"nelements":3,"elements":["K","Ba","Hg"],"chemical_system":"Ba-Hg-K","density":0.5107305133177036,"density_atomic":0.002129960402156392,"volume":1877.9691847559052,"volume_molar":282.7348693385627,"formula_full":"K1 Ba1 Hg2","formula_reduced":"KBaHg2","formula_anonymous":"ABC2","energy":-1.37969846,"energy_per_atom":-0.344924615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.37969846,"band_gap":0.1607,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9992037,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.963000Z","spacegroup":71},{"id":"mp-1095810","created_at":"2022-09-04T14:43:12.120054Z","structure_string":"Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Pb"],"chemical_system":"Mg-Pb-Sr","density":0.36181136167932293,"density_atomic":0.002142746880087649,"volume":1866.7627227329717,"volume_molar":281.04769704547016,"formula_full":"Sr2 Mg1 Pb1","formula_reduced":"Sr2MgPb","formula_anonymous":"ABC2","energy":-3.74767763,"energy_per_atom":-0.9369194075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74767763,"band_gap":0.0116,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1314058,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.562000Z","spacegroup":71},{"id":"mp-1096391","created_at":"2022-09-04T14:44:03.808322Z","structure_string":"Ba2 Tl1 Pd1\n1.0\n-6.472407 7.121714 10.121526\n6.472407 -7.121714 10.121526\n6.472407 7.121714 -10.121526\nBa Tl Pd\n2 1 1\ndirect\n0.000000 0.218368 0.218368 Ba\n0.000000 0.781632 0.781632 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Pd"],"chemical_system":"Ba-Pd-Tl","density":0.5209403395802915,"density_atomic":0.0021434021258929428,"volume":1866.1920465967612,"volume_molar":280.96177974495436,"formula_full":"Ba2 Tl1 Pd1","formula_reduced":"Ba2TlPd","formula_anonymous":"ABC2","energy":-7.71107014,"energy_per_atom":-1.927767535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.71107014,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3209008,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.387000Z","spacegroup":71}]}