{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10175","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10173","results":[{"id":"mp-1206025","created_at":"2022-09-04T14:45:07.828814Z","structure_string":"Ho2 Al2 Si2\n1.0\n2.006237 -5.119858 0.000000\n2.006237 5.119858 0.000000\n0.000000 0.000000 5.678731\nHo Al Si\n2 2 2\ndirect\n0.694108 0.305892 0.250000 Ho\n0.305892 0.694108 0.750000 Ho\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.399501 0.600499 0.250000 Si\n0.600499 0.399501 0.750000 Si\n","nsites":6,"nelements":3,"elements":["Ho","Al","Si"],"chemical_system":"Al-Ho-Si","density":6.2628947840235405,"density_atomic":0.051431572916385115,"volume":116.65985813333963,"volume_molar":11.7090347786767,"formula_full":"Ho2 Al2 Si2","formula_reduced":"HoAlSi","formula_anonymous":"ABC","energy":-31.07338919,"energy_per_atom":-5.178898198333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.215389190000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005827,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.840000Z","spacegroup":63},{"id":"mp-1094145","created_at":"2022-09-04T14:45:17.198720Z","structure_string":"Mg4 Fe2\n1.0\n2.341615 -7.346541 0.000000\n2.341615 7.346541 0.000000\n0.000000 0.000000 3.124821\nMg Fe\n4 2\ndirect\n0.914746 0.085254 0.750000 Mg\n0.085254 0.914746 0.250000 Mg\n0.283040 0.716960 0.750000 Mg\n0.716960 0.283040 0.250000 Mg\n0.558567 0.441433 0.750000 Fe\n0.441433 0.558567 0.250000 Fe\n","nsites":6,"nelements":2,"elements":["Mg","Fe"],"chemical_system":"Fe-Mg","density":3.2266717602614676,"density_atomic":0.05580816102626002,"volume":107.51115768134261,"volume_molar":10.790788747126674,"formula_full":"Mg4 Fe2","formula_reduced":"Mg2Fe","formula_anonymous":"AB2","energy":-22.45946508,"energy_per_atom":-3.74324418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.45946508,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5034898,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.675000Z","spacegroup":63},{"id":"mp-1094918","created_at":"2022-09-04T14:45:07.769430Z","structure_string":"Ce4 Mg2\n1.0\n1.603592 -9.234283 0.000000\n1.603592 9.234283 0.000000\n0.000000 0.000000 5.254215\nCe Mg\n4 2\ndirect\n0.126573 0.873427 0.250000 Ce\n0.796673 0.203327 0.250000 Ce\n0.203327 0.796673 0.750000 Ce\n0.873427 0.126573 0.750000 Ce\n0.459752 0.540248 0.250000 Mg\n0.540248 0.459752 0.750000 Mg\n","nsites":6,"nelements":2,"elements":["Ce","Mg"],"chemical_system":"Ce-Mg","density":6.4995645552649535,"density_atomic":0.03855816466705727,"volume":155.60906624599244,"volume_molar":15.618328341092187,"formula_full":"Ce4 Mg2","formula_reduced":"Ce2Mg","formula_anonymous":"AB2","energy":-26.86079819,"energy_per_atom":-4.476799698333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.86079819,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3500584,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.893000Z","spacegroup":63},{"id":"mp-1224182","created_at":"2022-09-04T14:45:17.037418Z","structure_string":"Hf1 Ti1 W4\n1.0\n0.000000 3.780806 3.780806\n3.780806 0.000000 3.780806\n3.780806 3.780806 0.000000\nHf Ti W\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ti\n0.625036 0.625036 0.124893 W\n0.625036 0.124893 0.625036 W\n0.124893 0.625036 0.625036 W\n0.625036 0.625036 0.625036 W\n","nsites":6,"nelements":3,"elements":["Hf","Ti","W"],"chemical_system":"Hf-Ti-W","density":14.77451435466672,"density_atomic":0.05550959698239158,"volume":108.0894174371917,"volume_molar":10.848828107886115,"formula_full":"Hf1 Ti1 W4","formula_reduced":"HfTiW4","formula_anonymous":"ABC4","energy":-70.07344951,"energy_per_atom":-11.678908251666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.07344951,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003314,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.507000Z","spacegroup":216},{"id":"mp-1208867","created_at":"2022-09-04T14:45:11.076662Z","structure_string":"Si4 O2\n1.0\n0.000000 4.678622 4.678622\n4.678622 0.000000 4.678622\n4.678622 4.678622 0.000000\nSi O\n4 2\ndirect\n0.125000 0.125000 0.125000 Si\n0.125000 0.125000 0.625000 Si\n0.125000 0.625000 0.125000 Si\n0.625000 0.125000 0.125000 Si\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n","nsites":6,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.1701844801502803,"density_atomic":0.029293237908066375,"volume":204.82542827222937,"volume_molar":20.558126004710815,"formula_full":"Si4 O2","formula_reduced":"Si2O","formula_anonymous":"AB2","energy":-27.47012709,"energy_per_atom":-4.578354515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.09612709,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001206,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.106000Z","spacegroup":227},{"id":"mp-989190","created_at":"2022-09-04T14:47:12.601783Z","structure_string":"Sc2 Br2 O2\n1.0\n3.635576 0.000000 0.000000\n0.000000 3.635576 0.000000\n0.000000 0.000000 8.568888\nSc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.121302 Sc\n0.500000 0.000000 0.878698 Sc\n0.000000 0.500000 0.682025 Br\n0.500000 0.000000 0.317975 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Sc","Br","O"],"chemical_system":"Br-O-Sc","density":4.13041542553273,"density_atomic":0.0529761421064501,"volume":113.25853037662912,"volume_molar":11.367646869979941,"formula_full":"Sc2 Br2 O2","formula_reduced":"ScBrO","formula_anonymous":"ABC","energy":-44.57749612,"energy_per_atom":-7.4295826866666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.13549612,"band_gap":3.3454,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000125,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.756000Z","spacegroup":129},{"id":"mp-754349","created_at":"2022-09-04T14:45:17.230561Z","structure_string":"Gd2 O2 F2\n1.0\n3.925634 0.000000 0.000000\n0.000000 3.925634 0.000000\n0.000000 0.000000 5.600655\nGd O F\n2 2 2\ndirect\n0.000000 0.500000 0.711725 Gd\n0.500000 0.000000 0.288275 Gd\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Gd","O","F"],"chemical_system":"F-Gd-O","density":7.39745011495,"density_atomic":0.06951728726859452,"volume":86.30946683546138,"volume_molar":8.662795970061671,"formula_full":"Gd2 O2 F2","formula_reduced":"GdOF","formula_anonymous":"ABC","energy":-66.97490245,"energy_per_atom":-11.162483741666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.67690245,"band_gap":2.9256,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9993534,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.876000Z","spacegroup":129},{"id":"mp-1222815","created_at":"2022-09-04T14:45:16.334062Z","structure_string":"La1 Gd1 Br2 O2\n1.0\n4.034636 0.000000 0.000000\n0.000000 4.034636 0.000000\n0.000000 0.000000 8.049424\nLa Gd Br O\n1 1 2 2\ndirect\n0.000000 0.000000 0.848337 La\n0.500000 0.500000 0.144518 Gd\n0.500000 0.500000 0.649147 Br\n0.000000 0.000000 0.347403 Br\n0.500000 0.000000 0.005298 O\n0.000000 0.500000 0.005298 O\n","nsites":6,"nelements":4,"elements":["La","Gd","Br","O"],"chemical_system":"Br-Gd-La-O","density":6.183890881226691,"density_atomic":0.045790746908481686,"volume":131.03083930890494,"volume_molar":13.151435970319445,"formula_full":"La1 Gd1 Br2 O2","formula_reduced":"LaGd(BrO)2","formula_anonymous":"ABC2D2","energy":-52.25960610999999,"energy_per_atom":-8.709934351666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.81760611,"band_gap":2.7531,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9992925,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.071000Z","spacegroup":99},{"id":"mp-1217922","created_at":"2022-09-04T14:45:12.331569Z","structure_string":"Ta1 Re1 Se4\n1.0\n1.726969 -2.991199 0.000000\n1.726969 2.991199 0.000000\n0.000000 0.000000 12.922012\nTa Re Se\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Ta\n0.666667 0.333333 0.500000 Re\n0.666667 0.333333 0.130169 Se\n0.333333 0.666667 0.378232 Se\n0.333333 0.666667 0.621768 Se\n0.666667 0.333333 0.869831 Se\n","nsites":6,"nelements":3,"elements":["Ta","Re","Se"],"chemical_system":"Re-Se-Ta","density":8.495257768843972,"density_atomic":0.04494291795640543,"volume":133.50268012904706,"volume_molar":13.399532192906273,"formula_full":"Ta1 Re1 Se4","formula_reduced":"TaReSe4","formula_anonymous":"ABC4","energy":-43.01373539,"energy_per_atom":-7.1689558983333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.12573539,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0627482,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.391000Z","spacegroup":187},{"id":"mp-1094560","created_at":"2022-09-04T14:45:14.819736Z","structure_string":"Mg4 Sb2\n1.0\n5.561683 -2.811209 0.000000\n5.561683 2.811209 0.000000\n4.140730 0.000000 4.657207\nMg Sb\n4 2\ndirect\n0.000000 0.660145 0.339855 Mg\n0.339855 0.000000 0.660145 Mg\n0.500000 0.500000 0.500000 Mg\n0.660145 0.339855 0.000000 Mg\n0.151282 0.151282 0.151282 Sb\n0.848718 0.848718 0.848718 Sb\n","nsites":6,"nelements":2,"elements":["Mg","Sb"],"chemical_system":"Mg-Sb","density":3.885235185015339,"density_atomic":0.04119991755230263,"volume":145.63135939248173,"volume_molar":14.616875755527884,"formula_full":"Mg4 Sb2","formula_reduced":"Mg2Sb","formula_anonymous":"AB2","energy":-15.50303762,"energy_per_atom":-2.5838396033333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.11903762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005233,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.819000Z","spacegroup":155},{"id":"mp-1226006","created_at":"2022-09-04T14:45:07.702013Z","structure_string":"Co1 Si4 Ni1\n1.0\n6.322511 -1.906698 0.000000\n6.322511 1.906698 0.000000\n5.747502 0.000000 3.252054\nCo Si Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.626682 0.626682 0.626682 Si\n0.123317 0.123317 0.123317 Si\n0.876683 0.876683 0.876683 Si\n0.373318 0.373318 0.373318 Si\n0.500000 0.500000 0.500000 Ni\n","nsites":6,"nelements":3,"elements":["Co","Si","Ni"],"chemical_system":"Co-Ni-Si","density":4.870329908812035,"density_atomic":0.07652300246120076,"volume":78.4077964405822,"volume_molar":7.869713114110216,"formula_full":"Co1 Si4 Ni1","formula_reduced":"CoSi4Ni","formula_anonymous":"ABC4","energy":-36.96970868,"energy_per_atom":-6.161618113333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.25370868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.355000Z","spacegroup":166},{"id":"mp-23940","created_at":"2022-09-04T14:45:11.009126Z","structure_string":"Na2 H2 O2\n1.0\n3.439117 0.000000 0.000000\n0.000000 3.422206 0.000000\n0.000000 1.365718 5.773780\nNa H O\n2 2 2\ndirect\n0.750000 0.318617 0.824811 Na\n0.250000 0.681383 0.175189 Na\n0.750000 0.067179 0.397665 H\n0.250000 0.932821 0.602335 H\n0.250000 0.832445 0.769651 O\n0.750000 0.167555 0.230349 O\n","nsites":6,"nelements":3,"elements":["Na","H","O"],"chemical_system":"H-Na-O","density":1.9547641547226777,"density_atomic":0.08829536765270818,"volume":67.95373482785389,"volume_molar":6.820449271684176,"formula_full":"Na2 H2 O2","formula_reduced":"NaHO","formula_anonymous":"ABC","energy":-28.631820760000004,"energy_per_atom":-4.771970126666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.25782076,"band_gap":3.0904,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.222000Z","spacegroup":11}]}