{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=12189","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density_atomic&page=12187","results":[{"id":"mp-1206726","created_at":"2022-09-04T14:42:01.320940Z","structure_string":"Tb2 Ag1 Sb3\n1.0\n10.262590 0.000000 0.000000\n0.000000 10.262590 0.000000\n0.000000 0.000000 38.551178\nTb Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241815 Tb\n0.500000 0.500000 0.758185 Tb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.689723 Sb\n0.500000 0.500000 0.310277 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Tb","Ag","Sb"],"chemical_system":"Ag-Sb-Tb","density":0.3234993156058042,"density_atomic":0.0014777454798091828,"volume":4060.239115584887,"volume_molar":407.522191221835,"formula_full":"Tb2 Ag1 Sb3","formula_reduced":"Tb2AgSb3","formula_anonymous":"AB2C3","energy":-11.42385959,"energy_per_atom":-1.9039765983333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.84785959,"band_gap":0.1181999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8912307,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.612000Z","spacegroup":123},{"id":"mp-1097089","created_at":"2022-09-04T14:44:19.043024Z","structure_string":"Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n","nsites":4,"nelements":3,"elements":["Cs","Rb","Na"],"chemical_system":"Cs-Na-Rb","density":0.1607329243172449,"density_atomic":0.0014646432044920594,"volume":2731.0405617777787,"volume_molar":411.1677671073815,"formula_full":"Cs1 Rb1 Na2","formula_reduced":"CsRbNa2","formula_anonymous":"ABC2","energy":-2.59798321,"energy_per_atom":-0.6494958025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59798321,"band_gap":0.3255999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.45e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.616000Z","spacegroup":71},{"id":"mp-1097376","created_at":"2022-09-04T14:39:17.349016Z","structure_string":"Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Ca"],"chemical_system":"Ba-Ca-Sr","density":0.24413839556478645,"density_atomic":0.0014616413324847755,"volume":2736.6494851373973,"volume_molar":412.0122102569734,"formula_full":"Ba2 Sr1 Ca1","formula_reduced":"Ba2SrCa","formula_anonymous":"ABC2","energy":-1.36926461,"energy_per_atom":-0.3423161525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.36926461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.2780704,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.477000Z","spacegroup":71},{"id":"mp-1206225","created_at":"2022-09-04T14:47:37.102866Z","structure_string":"Tb2 Te3\n1.0\n9.816850 0.000000 0.000000\n0.000000 9.816850 0.000000\n0.000000 0.000000 35.751802\nTb Te\n2 3\ndirect\n0.500000 0.500000 0.284070 Tb\n0.500000 0.500000 0.715930 Tb\n0.500000 0.500000 0.642031 Te\n0.500000 0.500000 0.357969 Te\n0.500000 0.500000 0.000000 Te\n","nsites":5,"nelements":2,"elements":["Tb","Te"],"chemical_system":"Tb-Te","density":0.3376823885360381,"density_atomic":0.0014512016305983785,"volume":3445.4206049495233,"volume_molar":414.97615720820767,"formula_full":"Tb2 Te3","formula_reduced":"Tb2Te3","formula_anonymous":"A2B3","energy":-12.76986251,"energy_per_atom":-2.5539725019999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.50386251,"band_gap":0.1578000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5737576,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.948000Z","spacegroup":123},{"id":"mp-1206317","created_at":"2022-09-04T14:41:25.024245Z","structure_string":"La2 Cd1 Sb3\n1.0\n9.870107 0.000000 0.000000\n0.000000 9.870107 0.000000\n0.000000 0.000000 42.535734\nLa Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243978 La\n0.500000 0.500000 0.756022 La\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691877 Sb\n0.500000 0.500000 0.308123 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["La","Cd","Sb"],"chemical_system":"Cd-La-Sb","density":0.3027520052314839,"density_atomic":0.001447950107055701,"volume":4143.789189118232,"volume_molar":415.90802961060416,"formula_full":"La2 Cd1 Sb3","formula_reduced":"La2CdSb3","formula_anonymous":"AB2C3","energy":-12.452835370000004,"energy_per_atom":-2.0754725616666674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.87683537,"band_gap":0.0675999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2965305,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.507000Z","spacegroup":123},{"id":"mp-1207230","created_at":"2022-09-04T14:43:04.258253Z","structure_string":"Mg1 Br6\n1.0\n5.533107 -8.439012 0.000000\n5.533107 8.439012 0.000000\n0.000000 0.000000 52.555475\nMg Br\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249998 Br\n0.000000 0.000000 0.750002 Br\n0.253143 0.010350 0.000000 Br\n0.746857 0.989650 0.000000 Br\n0.010350 0.253143 0.000000 Br\n0.989650 0.746857 0.000000 Br\n","nsites":7,"nelements":2,"elements":["Mg","Br"],"chemical_system":"Br-Mg","density":0.17042661461676434,"density_atomic":0.0014262294685812708,"volume":4908.046113339103,"volume_molar":422.2420650156999,"formula_full":"Mg1 Br6","formula_reduced":"MgBr6","formula_anonymous":"AB6","energy":-14.15298613,"energy_per_atom":-2.0218551614285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.94898613,"band_gap":0.7193000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8718867,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.341000Z","spacegroup":65},{"id":"mp-1207339","created_at":"2022-09-04T14:43:57.577920Z","structure_string":"Lu2 Cu1 Sb3\n1.0\n10.221528 0.000000 0.000000\n0.000000 10.221528 0.000000\n0.000000 0.000000 40.407838\nLu Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243891 Lu\n0.500000 0.500000 0.756109 Lu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691925 Sb\n0.500000 0.500000 0.308075 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Lu","Cu","Sb"],"chemical_system":"Cu-Lu-Sb","density":0.3063059790481573,"density_atomic":0.0014211960466087687,"volume":4221.796151429697,"volume_molar":423.7375113989318,"formula_full":"Lu2 Cu1 Sb3","formula_reduced":"Lu2CuSb3","formula_anonymous":"AB2C3","energy":-11.10765553,"energy_per_atom":-1.8512759216666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.53165553,"band_gap":0.1171000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8524122,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.591000Z","spacegroup":123},{"id":"mp-1207321","created_at":"2022-09-04T14:42:20.565353Z","structure_string":"Pr2 Cu1 Sb3\n1.0\n10.074944 0.000000 0.000000\n0.000000 10.074944 0.000000\n0.000000 0.000000 41.747216\nPr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243344 Pr\n0.500000 0.500000 0.756656 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691321 Sb\n0.500000 0.500000 0.308679 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Pr","Cu","Sb"],"chemical_system":"Cu-Pr-Sb","density":0.27847533839394734,"density_atomic":0.0014159191309960663,"volume":4237.530144662385,"volume_molar":425.3167167650008,"formula_full":"Pr2 Cu1 Sb3","formula_reduced":"Pr2CuSb3","formula_anonymous":"AB2C3","energy":-12.53888441,"energy_per_atom":-2.0898140683333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.96288441,"band_gap":0.0774999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9045383,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.116000Z","spacegroup":123},{"id":"mp-1097396","created_at":"2022-09-04T14:45:59.802166Z","structure_string":"Y2 Ga1 Pb1\n1.0\n-5.696480 9.229179 13.484509\n5.696480 -9.229179 13.484509\n5.696480 9.229179 -13.484509\nY Ga Pb\n2 1 1\ndirect\n0.000000 0.249157 0.249157 Y\n0.000000 0.750843 0.750843 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Y","Ga","Pb"],"chemical_system":"Ga-Pb-Y","density":0.2662823727960964,"density_atomic":0.0014105718621772684,"volume":2835.729328831114,"volume_molar":426.92902938703236,"formula_full":"Y2 Ga1 Pb1","formula_reduced":"Y2GaPb","formula_anonymous":"ABC2","energy":-12.22725585,"energy_per_atom":-3.0568139625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.22725585,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0894781,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.799000Z","spacegroup":71},{"id":"mp-1225236","created_at":"2022-09-04T14:43:10.128845Z","structure_string":"Na4 Zn2 Sn10\n1.0\n18.732225 -0.000000 -0.000000\n-0.000000 18.660966 -0.000000\n9.366113 9.330484 32.641176\nNa Zn Sn\n4 2 10\ndirect\n0.406011 0.954778 0.789564 Na\n0.343989 0.994342 0.710436 Na\n0.804424 0.255658 0.789564 Na\n0.945576 0.295222 0.710436 Na\n0.749991 0.249991 0.500017 Zn\n0.000009 0.000009 0.999983 Zn\n0.266693 0.777340 0.130877 Sn\n0.483307 0.158217 0.369123 Sn\n0.602430 0.091783 0.130877 Sn\n0.147570 0.472660 0.369123 Sn\n0.222690 0.397538 0.869052 Sn\n0.527310 0.516590 0.630948 Sn\n0.908258 0.733410 0.869052 Sn\n0.841742 0.852462 0.630948 Sn\n0.249972 0.749972 0.500056 Sn\n0.500028 0.500028 -0.000056 Sn\n","nsites":16,"nelements":3,"elements":["Na","Zn","Sn"],"chemical_system":"Na-Sn-Zn","density":0.2051828522081101,"density_atomic":0.0014022669499518154,"volume":11410.095631612647,"volume_molar":429.4575123664529,"formula_full":"Na4 Zn2 Sn10","formula_reduced":"Na2ZnSn5","formula_anonymous":"AB2C5","energy":-11.66910873,"energy_per_atom":-0.729319295625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.66910873,"band_gap":0.0011000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":17.2645744,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.281000Z","spacegroup":24},{"id":"mp-1206272","created_at":"2022-09-04T14:47:12.740983Z","structure_string":"Ta1 Se6\n1.0\n5.030092 -8.664420 0.000000\n5.030092 8.664420 0.000000\n0.000000 0.000000 57.327041\nTa Se\n1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.250000 Se\n0.000000 0.000000 0.750000 Se\n0.246090 0.998302 0.000000 Se\n0.753910 0.001698 0.000000 Se\n0.998302 0.246090 0.000000 Se\n0.001698 0.753910 0.000000 Se\n","nsites":7,"nelements":2,"elements":["Ta","Se"],"chemical_system":"Se-Ta","density":0.21756634687335816,"density_atomic":0.001400854708170294,"volume":4996.94933327022,"volume_molar":429.8904607934488,"formula_full":"Ta1 Se6","formula_reduced":"TaSe6","formula_anonymous":"AB6","energy":-28.87334986,"energy_per_atom":-4.124764265714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.04134986,"band_gap":0.1612,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9992878,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.336000Z","spacegroup":65},{"id":"mp-1206948","created_at":"2022-09-04T14:45:32.547451Z","structure_string":"Ho2 Cu1 Sb3\n1.0\n10.238273 0.000000 0.000000\n0.000000 10.238273 0.000000\n0.000000 0.000000 40.888291\nHo Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243911 Ho\n0.500000 0.500000 0.756089 Ho\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691911 Sb\n0.500000 0.500000 0.308089 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ho","Cu","Sb"],"chemical_system":"Cu-Ho-Sb","density":0.2939403207653395,"density_atomic":0.0013999060170350314,"volume":4286.002007983266,"volume_molar":430.18178982863117,"formula_full":"Ho2 Cu1 Sb3","formula_reduced":"Ho2CuSb3","formula_anonymous":"AB2C3","energy":-11.44398653,"energy_per_atom":-1.9073310883333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.86798653,"band_gap":0.1558000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.8644729,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.348000Z","spacegroup":123}]}