{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=70","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=68","results":[{"id":"mp-1097219","created_at":"2022-09-04T14:39:32.387984Z","structure_string":"Ti2 Mn1 Cu1\n1.0\n-4.666722 5.176153 7.326100\n4.666722 -5.176153 7.326100\n4.666722 5.176153 -7.326100\nTi Mn Cu\n2 1 1\ndirect\n0.000000 0.225389 0.225389 Ti\n0.000000 0.774611 0.774611 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Ti","Mn","Cu"],"chemical_system":"Cu-Mn-Ti","density":0.5025199175328277,"density_atomic":0.005650776393057058,"volume":707.867330392808,"volume_molar":106.57191757577289,"formula_full":"Ti2 Mn1 Cu1","formula_reduced":"Ti2MnCu","formula_anonymous":"ABC2","energy":-17.162903,"energy_per_atom":-4.29072575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.162903,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4774003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.050000Z","spacegroup":71},{"id":"mp-1095849","created_at":"2022-09-04T14:46:30.081830Z","structure_string":"La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n","nsites":4,"nelements":3,"elements":["La","Y","Zn"],"chemical_system":"La-Y-Zn","density":0.5027853697268098,"density_atomic":0.0033771296441795105,"volume":1184.4377982035744,"volume_molar":178.32127855616,"formula_full":"La1 Y1 Zn2","formula_reduced":"LaYZn2","formula_anonymous":"ABC2","energy":-5.65735476,"energy_per_atom":-1.41433869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.65735476,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998364,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.617000Z","spacegroup":71},{"id":"mp-1097367","created_at":"2022-09-04T14:47:10.336499Z","structure_string":"Ca2 Sn1 Au1\n1.0\n-5.890121 6.264182 8.857264\n5.890121 -6.264182 8.857264\n5.890121 6.264182 -8.857264\nCa Sn Au\n2 1 1\ndirect\n0.000000 0.254179 0.254179 Ca\n0.000000 0.745821 0.745821 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ca","Sn","Au"],"chemical_system":"Au-Ca-Sn","density":0.5028199005944716,"density_atomic":0.0030599323618118405,"volume":1307.2184372178504,"volume_molar":196.80633582482795,"formula_full":"Ca2 Sn1 Au1","formula_reduced":"Ca2SnAu","formula_anonymous":"ABC2","energy":-7.79662906,"energy_per_atom":-1.949157265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.79662906,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0295887,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.281000Z","spacegroup":71},{"id":"mp-1097459","created_at":"2022-09-04T14:40:31.065063Z","structure_string":"Rb2 Au1 Br1\n1.0\n-6.391517 6.398160 9.038464\n6.391517 -6.398160 9.038464\n6.391517 6.398160 -9.038464\nRb Au Br\n2 1 1\ndirect\n0.751434 0.000000 0.751434 Rb\n0.248566 0.000000 0.248566 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Rb","Au","Br"],"chemical_system":"Au-Br-Rb","density":0.502950797307818,"density_atomic":0.002705492427272579,"volume":1478.473922040292,"volume_molar":222.5894517128976,"formula_full":"Rb2 Au1 Br1","formula_reduced":"Rb2AuBr","formula_anonymous":"ABC2","energy":-9.81862651,"energy_per_atom":-2.4546566275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.28462651,"band_gap":3.2007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.89e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.097000Z","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-1093692","created_at":"2022-09-04T14:44:25.288164Z","structure_string":"Li2 Si1 Au1\n1.0\n-5.086433 5.239366 7.399403\n5.086433 -5.239366 7.399403\n5.086433 5.239366 -7.399403\nLi Si Au\n2 1 1\ndirect\n0.000000 0.255713 0.255713 Li\n0.000000 0.744287 0.744287 Li\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Li","Si","Au"],"chemical_system":"Au-Li-Si","density":0.5030121070092798,"density_atomic":0.005071206004432789,"volume":788.7670105500669,"volume_molar":118.7516491094227,"formula_full":"Li2 Si1 Au1","formula_reduced":"Li2SiAu","formula_anonymous":"ABC2","energy":-8.07300746,"energy_per_atom":-2.018251865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.14400746,"band_gap":0.2497000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999191,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.919000Z","spacegroup":71},{"id":"mp-1097256","created_at":"2022-09-04T14:48:07.692457Z","structure_string":"Li2 Ga1 Hg1\n1.0\n-5.460114 5.573614 7.705546\n5.460114 -5.573614 7.705546\n5.460114 5.573614 -7.705546\nLi Ga Hg\n2 1 1\ndirect\n0.244165 0.000000 0.244165 Li\n0.755835 0.000000 0.755835 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","Ga","Hg"],"chemical_system":"Ga-Hg-Li","density":0.5031106641363893,"density_atomic":0.004264400483236447,"volume":937.9982053102617,"volume_molar":141.21893062514437,"formula_full":"Li2 Ga1 Hg1","formula_reduced":"Li2GaHg","formula_anonymous":"ABC2","energy":-3.77700782,"energy_per_atom":-0.944251955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.77700782,"band_gap":0.0029999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9998245,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.500000Z","spacegroup":71},{"id":"mp-1096260","created_at":"2022-09-04T14:46:05.069323Z","structure_string":"Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Li","In","Pb"],"chemical_system":"In-Li-Pb","density":0.503307374756521,"density_atomic":0.0036093931019675913,"volume":1108.219550211773,"volume_molar":166.84635310897963,"formula_full":"Li2 In1 Pb1","formula_reduced":"Li2InPb","formula_anonymous":"ABC2","energy":-5.87968155,"energy_per_atom":-1.4699203875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.87968155,"band_gap":0.282,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7655764,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.249000Z","spacegroup":71},{"id":"mp-1096085","created_at":"2022-09-04T14:45:58.902456Z","structure_string":"Mn1 Be1 Co2\n1.0\n-4.548336 4.758656 6.927035\n4.548336 -4.758656 6.927035\n4.548336 4.758656 -6.927035\nMn Be Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.233853 0.233853 Co\n0.000000 0.766147 0.766147 Co\n","nsites":4,"nelements":3,"elements":["Mn","Be","Co"],"chemical_system":"Be-Co-Mn","density":0.5034292509043184,"density_atomic":0.00666984539195306,"volume":599.7140510671901,"volume_molar":90.28906078191118,"formula_full":"Mn1 Be1 Co2","formula_reduced":"MnBeCo2","formula_anonymous":"ABC2","energy":-15.82045079,"energy_per_atom":-3.9551126975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.82045079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.000162,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.773000Z","spacegroup":71},{"id":"mp-1097176","created_at":"2022-09-04T14:46:52.215564Z","structure_string":"Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n","nsites":4,"nelements":3,"elements":["Sr","Li","Tl"],"chemical_system":"Li-Sr-Tl","density":0.5036713605700279,"density_atomic":0.0024105014953931594,"volume":1659.405732643028,"volume_molar":249.82937249818102,"formula_full":"Sr1 Li1 Tl2","formula_reduced":"SrLiTl2","formula_anonymous":"ABC2","energy":-4.01599865,"energy_per_atom":-1.0039996625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.01599865,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0002178,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.083000Z","spacegroup":71},{"id":"mp-1093824","created_at":"2022-09-04T14:39:11.522375Z","structure_string":"Ba2 Ag1 Pd1\n1.0\n-6.174833 6.793814 9.603085\n6.174833 -6.793814 9.603085\n6.174833 6.793814 -9.603085\nBa Ag Pd\n2 1 1\ndirect\n0.000000 0.230742 0.230742 Ba\n0.000000 0.769258 0.769258 Ba\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Ag","Pd"],"chemical_system":"Ag-Ba-Pd","density":0.5038450385560176,"density_atomic":0.0024822776552815683,"volume":1611.4232795389178,"volume_molar":242.60544533310477,"formula_full":"Ba2 Ag1 Pd1","formula_reduced":"Ba2AgPd","formula_anonymous":"ABC2","energy":-8.36339307,"energy_per_atom":-2.0908482675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.36339307,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0067329,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.638000Z","spacegroup":71},{"id":"mp-1093962","created_at":"2022-09-04T14:39:32.803239Z","structure_string":"Nb2 Tc1 Ni1\n1.0\n-4.670366 6.442851 9.372983\n4.670366 -6.442851 9.372983\n4.670366 6.442851 -9.372983\nNb Tc Ni\n2 1 1\ndirect\n0.000000 0.254978 0.254978 Nb\n0.000000 0.745022 0.745022 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n","nsites":4,"nelements":3,"elements":["Nb","Tc","Ni"],"chemical_system":"Nb-Ni-Tc","density":0.50413942267771,"density_atomic":0.0035456279876303325,"volume":1128.149939574834,"volume_molar":169.84694336262862,"formula_full":"Nb2 Tc1 Ni1","formula_reduced":"Nb2TcNi","formula_anonymous":"ABC2","energy":-21.18488535,"energy_per_atom":-5.2962213375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.18488535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.980155,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.893000Z","spacegroup":71}]}