{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=83","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=81","results":[{"id":"mp-1187673","created_at":"2022-09-04T14:46:01.777155Z","structure_string":"Tm2 Os6\n1.0\n2.885031 -4.997021 0.000000\n2.885031 4.997021 0.000000\n0.000000 0.000000 4.597193\nTm Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.161648 0.323296 0.250000 Os\n0.676704 0.838352 0.250000 Os\n0.161648 0.838352 0.250000 Os\n0.838352 0.676704 0.750000 Os\n0.323296 0.161648 0.750000 Os\n0.838352 0.161648 0.750000 Os\n","nsites":8,"nelements":2,"elements":["Tm","Os"],"chemical_system":"Os-Tm","density":18.53129716952057,"density_atomic":0.060353935714899526,"volume":132.55142196178346,"volume_molar":9.97804151240019,"formula_full":"Tm2 Os6","formula_reduced":"TmOs3","formula_anonymous":"AB3","energy":-73.84384278,"energy_per_atom":-9.2304803475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.84384278,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031219,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.507000Z","spacegroup":194},{"id":"mp-32933","created_at":"2022-09-04T14:46:00.848015Z","structure_string":"Tm16 S24\n1.0\n-4.112992 4.112992 12.304529\n4.112992 -4.112992 12.304529\n4.112992 4.112992 -12.304529\nTm S\n16 24\ndirect\n0.850820 0.950847 0.378653 Tm\n0.572194 0.472168 0.621347 Tm\n0.164838 0.164838 0.000000 Tm\n0.875000 0.508037 0.133037 Tm\n0.585162 0.085162 0.500000 Tm\n0.177806 0.299153 0.399973 Tm\n0.375000 0.741963 0.866963 Tm\n0.899180 0.777832 0.600027 Tm\n0.222168 0.822194 0.121347 Tm\n0.491963 0.625000 0.366963 Tm\n0.914838 0.414838 0.500000 Tm\n0.700847 0.100820 0.878653 Tm\n0.258037 0.125000 0.633037 Tm\n0.835162 0.835162 0.000000 Tm\n0.527832 0.149180 0.100027 Tm\n0.049153 0.427806 0.899973 Tm\n0.074266 0.828057 0.615249 S\n0.866386 0.248598 0.745606 S\n0.883614 0.129220 0.882212 S\n0.502992 0.120780 0.254394 S\n0.247008 0.001402 0.117788 S\n0.675734 0.790983 0.253791 S\n0.212808 0.459017 0.384751 S\n0.537192 0.421943 0.746209 S\n0.403806 0.158143 0.597257 S\n0.193452 0.596194 0.754337 S\n0.841857 0.439115 0.245663 S\n0.209017 0.462808 0.884751 S\n0.578057 0.324266 0.115249 S\n0.998598 0.116386 0.245606 S\n0.560885 0.806548 0.402743 S\n0.870780 0.752992 0.754394 S\n0.751402 0.497008 0.617788 S\n0.540983 0.925734 0.753791 S\n0.171943 0.787192 0.246209 S\n0.556548 0.810885 0.902743 S\n0.908143 0.653806 0.097257 S\n0.346194 0.443452 0.254337 S\n0.879220 0.133614 0.382212 S\n0.189115 0.091857 0.745663 S\n","nsites":40,"nelements":2,"elements":["Tm","S"],"chemical_system":"S-Tm","density":6.925506756355403,"density_atomic":0.04804180059162333,"volume":832.6082600445764,"volume_molar":12.535210349817808,"formula_full":"Tm16 S24","formula_reduced":"Tm2S3","formula_anonymous":"A2B3","energy":-263.48221866,"energy_per_atom":-6.5870554665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.41021866,"band_gap":2.0032000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042412,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.617000Z","spacegroup":122},{"id":"mp-979419","created_at":"2022-09-04T14:46:01.062051Z","structure_string":"Dy3 Y1\n1.0\n5.037867 0.000000 0.000000\n0.000000 5.037867 0.000000\n0.000000 0.000000 5.037867\nDy Y\n3 1\ndirect\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n","nsites":4,"nelements":2,"elements":["Dy","Y"],"chemical_system":"Dy-Y","density":7.485785586888087,"density_atomic":0.031283828586401836,"volume":127.86158794319321,"volume_molar":19.250012009775713,"formula_full":"Dy3 Y1","formula_reduced":"Dy3Y","formula_anonymous":"AB3","energy":-20.18072342,"energy_per_atom":-5.045180855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.18072342,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004527,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.816000Z","spacegroup":221},{"id":"mp-1074924","created_at":"2022-09-04T14:46:01.135572Z","structure_string":"Mg6 Si8\n1.0\n4.064866 0.000000 0.000000\n0.000000 7.512604 0.000000\n0.000000 2.121642 8.635399\nMg Si\n6 8\ndirect\n0.000000 0.659387 0.661866 Mg\n0.500000 0.106427 0.970674 Mg\n0.500000 0.376081 0.220637 Mg\n0.000000 0.761721 0.084351 Mg\n0.500000 0.960166 0.468299 Mg\n0.500000 0.322799 0.617009 Mg\n0.000000 0.196142 0.435247 Si\n0.000000 0.520668 0.414673 Si\n0.500000 0.494043 0.851624 Si\n0.000000 0.429004 0.002064 Si\n0.000000 0.118135 0.174764 Si\n0.500000 0.836952 0.809192 Si\n0.500000 0.693546 0.321546 Si\n0.000000 0.025057 0.721322 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3331065902341157,"density_atomic":0.053089531890996175,"volume":263.7054707648375,"volume_molar":11.34336760091369,"formula_full":"Mg6 Si8","formula_reduced":"Mg3Si4","formula_anonymous":"A3B4","energy":-50.89343494,"energy_per_atom":-3.635245352857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.46143494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0061229,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.800000Z","spacegroup":6},{"id":"mp-1191644","created_at":"2022-09-04T14:46:00.105703Z","structure_string":"H16 S8\n1.0\n-4.184797 4.242642 5.212658\n4.184797 -4.242642 5.212658\n4.184797 4.242642 -5.212658\nH S\n16 8\ndirect\n0.276651 0.768201 0.668278 H\n0.900077 0.731799 0.008450 H\n0.223349 0.891627 0.491550 H\n0.599923 0.608373 0.831722 H\n0.723349 0.231799 0.331722 H\n0.099923 0.268201 0.991550 H\n0.776651 0.108373 0.508450 H\n0.400077 0.391627 0.168278 H\n0.585966 0.099456 0.807241 H\n0.707784 0.400544 0.986510 H\n0.914034 0.721274 0.513490 H\n0.792216 0.778726 0.692759 H\n0.414034 0.900544 0.192759 H\n0.292216 0.599456 0.013490 H\n0.085966 0.278726 0.486510 H\n0.207784 0.221274 0.307241 H\n0.243318 0.750000 0.993318 S\n0.256682 0.250000 0.506682 S\n0.756682 0.250000 0.006682 S\n0.743318 0.750000 0.493318 S\n0.750000 0.280546 0.530546 S\n0.250000 0.219454 0.969454 S\n0.250000 0.719454 0.469454 S\n0.750000 0.780546 0.030546 S\n","nsites":24,"nelements":2,"elements":["H","S"],"chemical_system":"H-S","density":1.2229814749187282,"density_atomic":0.06483077835470943,"volume":370.1945373644676,"volume_molar":9.289015052466263,"formula_full":"H16 S8","formula_reduced":"H2S","formula_anonymous":"AB2","energy":-94.72397628,"energy_per_atom":-3.9468323450000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.69997628,"band_gap":4.4350000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003484,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.080000Z","spacegroup":73},{"id":"mp-721","created_at":"2022-09-04T14:46:00.322399Z","structure_string":"Tb1 Cd1\n1.0\n3.767115 0.000000 0.000000\n0.000000 3.767115 0.000000\n0.000000 0.000000 3.767115\nTb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n","nsites":2,"nelements":2,"elements":["Tb","Cd"],"chemical_system":"Cd-Tb","density":8.428114775707451,"density_atomic":0.037411348341853966,"volume":53.459714462162246,"volume_molar":16.09709627402744,"formula_full":"Tb1 Cd1","formula_reduced":"TbCd","formula_anonymous":"AB","energy":-6.19751727,"energy_per_atom":-3.098758635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.19751727,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1812254,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.934000Z","spacegroup":221},{"id":"mp-1183622","created_at":"2022-09-04T14:46:00.736708Z","structure_string":"Cd3 C1\n1.0\n4.172056 0.000000 0.000000\n0.000000 4.172056 0.000000\n0.000000 0.000000 4.172056\nCd C\n3 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 C\n","nsites":4,"nelements":2,"elements":["Cd","C"],"chemical_system":"C-Cd","density":7.98596294221279,"density_atomic":0.05508198768798859,"volume":72.61902062536238,"volume_molar":10.933049101481886,"formula_full":"Cd3 C1","formula_reduced":"Cd3C","formula_anonymous":"AB3","energy":-7.11706431,"energy_per_atom":-1.7792660775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.11706431,"band_gap":0.2046000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.44e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.657000Z","spacegroup":221},{"id":"mp-21412","created_at":"2022-09-04T14:45:59.533574Z","structure_string":"Ce3 Tl1\n1.0\n4.841175 0.000000 0.000000\n0.000000 4.841175 0.000000\n0.000000 0.000000 4.841175\nCe Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Tl\n","nsites":4,"nelements":2,"elements":["Ce","Tl"],"chemical_system":"Ce-Tl","density":9.143027311093292,"density_atomic":0.035253938747077905,"volume":113.46249928829721,"volume_molar":17.082178542388142,"formula_full":"Ce3 Tl1","formula_reduced":"Ce3Tl","formula_anonymous":"AB3","energy":-20.7010821,"energy_per_atom":-5.175270525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.7010821,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7534515,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.980000Z","spacegroup":221},{"id":"mp-560902","created_at":"2022-09-04T14:45:59.993119Z","structure_string":"Mn2 F4\n1.0\n3.348187 0.000000 0.000000\n0.000000 4.961992 0.000000\n0.000000 0.000000 4.961992\nMn F\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.694923 0.694923 F\n0.500000 0.805077 0.194923 F\n0.000000 0.305077 0.305077 F\n0.500000 0.194923 0.805077 F\n","nsites":6,"nelements":2,"elements":["Mn","F"],"chemical_system":"F-Mn","density":3.744000315489349,"density_atomic":0.07278291159936043,"volume":82.43693290297999,"volume_molar":8.274113562740348,"formula_full":"Mn2 F4","formula_reduced":"MnF2","formula_anonymous":"AB2","energy":-43.77989414,"energy_per_atom":-7.296649023333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.59589414,"band_gap":2.5363,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.668000Z","spacegroup":136},{"id":"mp-542817","created_at":"2022-09-04T14:45:59.558499Z","structure_string":"U8 Pt8\n1.0\n10.669209 0.000000 0.000000\n0.000000 5.773241 0.000000\n0.000000 1.167969 5.697717\nU Pt\n8 8\ndirect\n0.002956 0.138601 0.908634 U\n0.502956 0.861399 0.091366 U\n0.015854 0.610604 0.346813 U\n0.515854 0.389396 0.653187 U\n0.289150 0.861083 0.597601 U\n0.789150 0.138917 0.402399 U\n0.279513 0.398606 0.157832 U\n0.779513 0.601394 0.842168 U\n0.739540 0.086254 0.911228 Pt\n0.239540 0.913746 0.088772 Pt\n0.747223 0.648169 0.336168 Pt\n0.247223 0.351831 0.663832 Pt\n0.553533 0.902167 0.580902 Pt\n0.053533 0.097833 0.419098 Pt\n0.548230 0.351899 0.156077 Pt\n0.048230 0.648101 0.843923 Pt\n","nsites":16,"nelements":2,"elements":["U","Pt"],"chemical_system":"Pt-U","density":16.394094316755506,"density_atomic":0.045589748706560525,"volume":350.95609109373186,"volume_molar":13.209418632161471,"formula_full":"U8 Pt8","formula_reduced":"UPt","formula_anonymous":"AB","energy":-147.22691062,"energy_per_atom":-9.20168191375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.22691062,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.5937073,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.292000Z","spacegroup":4},{"id":"mp-494","created_at":"2022-09-04T14:46:00.880732Z","structure_string":"Ge2 Mo6\n1.0\n4.971812 0.000000 0.000000\n0.000000 4.971812 0.000000\n0.000000 0.000000 4.971812\nGe Mo\n2 6\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.250000 0.000000 0.500000 Mo\n0.750000 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n","nsites":8,"nelements":2,"elements":["Ge","Mo"],"chemical_system":"Ge-Mo","density":9.740742815086204,"density_atomic":0.06509473934381564,"volume":122.89779605300846,"volume_molar":9.251347836562369,"formula_full":"Ge2 Mo6","formula_reduced":"GeMo3","formula_anonymous":"AB3","energy":-75.51854952,"energy_per_atom":-9.43981869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.51854952,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003929,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.747000Z","spacegroup":223},{"id":"mp-726705","created_at":"2022-09-04T14:46:01.181851Z","structure_string":"Sr4 O8\n1.0\n4.724219 0.000000 0.000000\n0.000000 4.946967 0.000000\n0.000000 0.000000 8.511161\nSr O\n4 8\ndirect\n0.890965 0.750000 0.146578 Sr\n0.609035 0.750000 0.646578 Sr\n0.109035 0.250000 0.853422 Sr\n0.390965 0.250000 0.353422 Sr\n0.534430 0.750000 0.355374 O\n0.965570 0.750000 0.855374 O\n0.465570 0.250000 0.644626 O\n0.034430 0.250000 0.144626 O\n0.222872 0.750000 0.395499 O\n0.277128 0.750000 0.895499 O\n0.777128 0.250000 0.604501 O\n0.722872 0.250000 0.104501 O\n","nsites":12,"nelements":2,"elements":["Sr","O"],"chemical_system":"O-Sr","density":3.9943920530620445,"density_atomic":0.06032862192852087,"volume":198.91056046693646,"volume_molar":9.982228281519857,"formula_full":"Sr4 O8","formula_reduced":"SrO2","formula_anonymous":"AB2","energy":-72.69192167,"energy_per_atom":-6.057660139166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.97192167,"band_gap":2.7825,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003515,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.983000Z","spacegroup":62}]}