{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=30","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=28","results":[{"id":"mp-998234","created_at":"2022-09-04T14:40:16.403375Z","structure_string":"Cs1 Tl1 F3\n1.0\n3.379039 -3.383799 0.000000\n3.379039 3.383799 0.000000\n-0.009527 0.000000 4.782040\nCs Tl F\n1 1 3\ndirect\n0.053932 0.053932 0.053932 Cs\n0.547211 0.547211 0.547211 Tl\n0.046504 0.543179 0.543179 F\n0.543179 0.543179 0.046504 F\n0.543179 0.046504 0.543179 F\n","nsites":5,"nelements":3,"elements":["Cs","Tl","F"],"chemical_system":"Cs-F-Tl","density":5.987110126962187,"density_atomic":0.04572240246024778,"volume":109.35558349863894,"volume_molar":13.171094334414738,"formula_full":"Cs1 Tl1 F3","formula_reduced":"CsTlF3","formula_anonymous":"ABC3","energy":-21.252865380000003,"energy_per_atom":-4.250573076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.86686538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003745,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.193000Z","spacegroup":160},{"id":"mp-998233","created_at":"2022-09-04T14:40:52.059479Z","structure_string":"In1 Ge1 Cl3\n1.0\n3.757597 4.084061 0.000000\n-3.757597 4.084061 0.000000\n0.000000 0.029140 5.647626\nIn Ge Cl\n1 1 3\ndirect\n0.095025 0.095025 0.081978 In\n0.518381 0.518381 0.448978 Ge\n0.479701 0.957798 0.441996 Cl\n0.470813 0.470813 0.028233 Cl\n0.957798 0.479701 0.441996 Cl\n","nsites":5,"nelements":3,"elements":["In","Ge","Cl"],"chemical_system":"Cl-Ge-In","density":2.8146712194019576,"density_atomic":0.028845074114528958,"volume":173.3398215635561,"volume_molar":20.877536095380364,"formula_full":"In1 Ge1 Cl3","formula_reduced":"InGeCl3","formula_anonymous":"ABC3","energy":-18.81136172,"energy_per_atom":-3.7622723440000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.96936172,"band_gap":2.2217,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.263000Z","spacegroup":8},{"id":"mp-998231","created_at":"2022-09-04T14:42:01.991999Z","structure_string":"K1 Ge1 Cl3\n1.0\n3.759319 3.815231 0.000000\n-3.759319 3.815231 0.000000\n0.000000 0.119760 5.333764\nK Ge Cl\n1 1 3\ndirect\n0.996002 0.996002 0.998881 K\n0.478154 0.478154 0.467175 Ge\n0.494243 0.023648 0.481393 Cl\n0.500325 0.500325 0.007507 Cl\n0.023648 0.494243 0.481393 Cl\n","nsites":5,"nelements":3,"elements":["K","Ge","Cl"],"chemical_system":"Cl-Ge-K","density":2.3670398921308373,"density_atomic":0.03267955958160238,"volume":153.00083795544327,"volume_molar":18.4278516513126,"formula_full":"K1 Ge1 Cl3","formula_reduced":"KGeCl3","formula_anonymous":"ABC3","energy":-19.4372957,"energy_per_atom":-3.88745914,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.5952957,"band_gap":1.4859,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.582000Z","spacegroup":8},{"id":"mp-998230","created_at":"2022-09-04T14:43:00.227618Z","structure_string":"Li1 Sn1 Cl3\n1.0\n3.759941 -3.561614 0.000000\n3.759941 3.561614 0.000000\n0.386192 0.000000 5.164601\nLi Sn Cl\n1 1 3\ndirect\n0.889077 0.889077 0.889077 Li\n0.522518 0.522518 0.522518 Sn\n0.374469 0.857255 0.857255 Cl\n0.857255 0.374469 0.857255 Cl\n0.857255 0.857255 0.374469 Cl\n","nsites":5,"nelements":3,"elements":["Li","Sn","Cl"],"chemical_system":"Cl-Li-Sn","density":2.785230555336312,"density_atomic":0.036147257573131863,"volume":138.3230799704286,"volume_molar":16.660021158773155,"formula_full":"Li1 Sn1 Cl3","formula_reduced":"LiSnCl3","formula_anonymous":"ABC3","energy":-19.84980381,"energy_per_atom":-3.9699607620000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.00780381,"band_gap":3.9416,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001287,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.306000Z","spacegroup":160},{"id":"mp-998227","created_at":"2022-09-04T14:42:28.818151Z","structure_string":"K1 Hf1 O3\n1.0\n4.177954 0.000000 0.000000\n0.000000 4.177954 0.000000\n0.000000 0.000000 4.177954\nK Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Hf","O"],"chemical_system":"Hf-K-O","density":6.047336441525025,"density_atomic":0.06856129977714692,"volume":72.92743889412984,"volume_molar":8.783586045734973,"formula_full":"K1 Hf1 O3","formula_reduced":"KHfO3","formula_anonymous":"ABC3","energy":-40.64858935,"energy_per_atom":-8.12971787,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.58758935,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001286,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.603000Z","spacegroup":221},{"id":"mp-998226","created_at":"2022-09-04T14:41:13.189055Z","structure_string":"Rb1 Ag1 Br3\n1.0\n3.851573 3.851400 0.000000\n-3.851573 3.851400 0.000000\n0.000000 0.017070 5.447143\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.999891 0.002929 Rb\n0.495991 0.495991 0.516129 Ag\n0.998981 0.492376 0.514237 Br\n0.504534 0.504534 0.015779 Br\n0.492376 0.998981 0.514237 Br\n","nsites":5,"nelements":3,"elements":["Rb","Ag","Br"],"chemical_system":"Ag-Br-Rb","density":4.449688432152706,"density_atomic":0.030939584163681224,"volume":161.60527476866693,"volume_molar":19.464194244307777,"formula_full":"Rb1 Ag1 Br3","formula_reduced":"RbAgBr3","formula_anonymous":"ABC3","energy":-14.77914339,"energy_per_atom":-2.955828678,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.17714339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072009,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.866000Z","spacegroup":99},{"id":"mp-998212","created_at":"2022-09-04T14:45:58.709334Z","structure_string":"Rb1 Ag1 Br3\n1.0\n-5.445471 0.000773 0.001368\n-0.001124 -0.000446 -5.448177\n0.007826 -5.447141 0.015987\nRb Ag Br\n1 1 3\ndirect\n0.999891 0.001205 0.997071 Rb\n0.498789 0.494506 0.483871 Ag\n0.998981 0.493690 0.485763 Br\n0.504667 0.505716 0.984221 Br\n0.497675 0.994885 0.489074 Br\n","nsites":5,"nelements":3,"elements":["Rb","Ag","Br"],"chemical_system":"Ag-Br-Rb","density":4.44969067029692,"density_atomic":0.03093959972595088,"volume":161.60519348303666,"volume_molar":19.46418445403763,"formula_full":"Rb1 Ag1 Br3","formula_reduced":"RbAgBr3","formula_anonymous":"ABC3","energy":-14.78005345,"energy_per_atom":-2.9560106900000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.17805345,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015185,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.087000Z","spacegroup":8},{"id":"mp-998204","created_at":"2022-09-04T14:41:21.192932Z","structure_string":"Rb1 In1 Cl3\n1.0\n3.860062 3.850696 0.000000\n-3.860062 3.850696 0.000000\n0.000000 0.021833 5.452916\nRb In Cl\n1 1 3\ndirect\n0.998308 0.998308 0.002864 Rb\n0.498450 0.498450 0.514237 In\n0.999907 0.495830 0.515894 Cl\n0.504657 0.504657 0.014376 Cl\n0.495830 0.999907 0.515894 Cl\n","nsites":5,"nelements":3,"elements":["Rb","In","Cl"],"chemical_system":"Cl-In-Rb","density":3.14117682370784,"density_atomic":0.03084449661457734,"volume":162.1034722167248,"volume_molar":19.52419854747732,"formula_full":"Rb1 In1 Cl3","formula_reduced":"RbInCl3","formula_anonymous":"ABC3","energy":-17.94815475,"energy_per_atom":-3.58963095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.10615475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001062,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.365000Z","spacegroup":99},{"id":"mp-998201","created_at":"2022-09-04T14:41:22.392466Z","structure_string":"Rb1 Ag1 Cl3\n1.0\n5.165475 0.000000 0.000000\n0.000000 5.167096 0.000000\n0.000000 0.005706 5.169280\nRb Ag Cl\n1 1 3\ndirect\n0.000000 0.999932 0.994995 Rb\n0.500000 0.503336 0.485566 Ag\n0.000000 0.505495 0.485547 Cl\n0.500000 0.497975 0.985590 Cl\n0.500000 0.003260 0.488303 Cl\n","nsites":5,"nelements":3,"elements":["Rb","Ag","Cl"],"chemical_system":"Ag-Cl-Rb","density":3.606963466959938,"density_atomic":0.03623957977563337,"volume":137.97069477505036,"volume_molar":16.617578893806996,"formula_full":"Rb1 Ag1 Cl3","formula_reduced":"RbAgCl3","formula_anonymous":"ABC3","energy":-16.4630948,"energy_per_atom":-3.29261896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.621094800000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004494,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.370000Z","spacegroup":6},{"id":"mp-998198","created_at":"2022-09-04T14:42:52.628182Z","structure_string":"Rb1 Ca1 Br3\n1.0\n4.061888 4.060041 0.000000\n-4.061888 4.060041 0.000000\n0.000000 0.008830 5.740419\nRb Ca Br\n1 1 3\ndirect\n0.001636 0.001636 0.998102 Rb\n0.504852 0.504852 0.483013 Ca\n0.504395 0.001539 0.485819 Br\n0.492299 0.492299 0.983957 Br\n0.001539 0.504395 0.485819 Br\n","nsites":5,"nelements":3,"elements":["Rb","Ca","Br"],"chemical_system":"Br-Ca-Rb","density":3.203440367813513,"density_atomic":0.02640815448418337,"volume":189.3354570837068,"volume_molar":22.80409546834043,"formula_full":"Rb1 Ca1 Br3","formula_reduced":"RbCaBr3","formula_anonymous":"ABC3","energy":-19.19678369,"energy_per_atom":-3.839356738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.59478369,"band_gap":4.0722,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.66e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.562000Z","spacegroup":8},{"id":"mp-998197","created_at":"2022-09-04T14:43:59.353978Z","structure_string":"Rb1 Ca1 Cl3\n1.0\n3.838466 3.834983 0.000000\n-3.838466 3.834983 0.000000\n0.000000 0.009170 5.424248\nRb Ca Cl\n1 1 3\ndirect\n0.003013 0.003013 0.996572 Rb\n0.503302 0.503302 0.485299 Ca\n0.505363 0.001693 0.484499 Cl\n0.494536 0.494535 0.985503 Cl\n0.001693 0.505363 0.484499 Cl\n","nsites":5,"nelements":3,"elements":["Rb","Ca","Cl"],"chemical_system":"Ca-Cl-Rb","density":2.4113939161668676,"density_atomic":0.031309730535941736,"volume":159.69476307885475,"volume_molar":19.234086837914287,"formula_full":"Rb1 Ca1 Cl3","formula_reduced":"RbCaCl3","formula_anonymous":"ABC3","energy":-21.5456795,"energy_per_atom":-4.309135899999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.7036795,"band_gap":4.6234,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002642,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.799000Z","spacegroup":8},{"id":"mp-998196","created_at":"2022-09-04T14:40:36.497493Z","structure_string":"Rb1 Cu1 Br3\n1.0\n5.186562 0.000000 0.000000\n0.000000 5.186562 0.000000\n0.000000 0.000000 5.186562\nRb Cu Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.500000 Br\n","nsites":5,"nelements":3,"elements":["Rb","Cu","Br"],"chemical_system":"Br-Cu-Rb","density":4.626512523133676,"density_atomic":0.035836969982236955,"volume":139.52072405893446,"volume_molar":16.80426878440044,"formula_full":"Rb1 Cu1 Br3","formula_reduced":"RbCuBr3","formula_anonymous":"ABC3","energy":-15.99451428,"energy_per_atom":-3.198902856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.39251428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002145,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.663000Z","spacegroup":221}]}