{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12150","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=12148","results":[{"id":"mp-634410","created_at":"2022-09-04T14:48:29.984782Z","structure_string":"Na1 N3\n1.0\n2.140065 2.679230 0.000000\n-2.140065 2.679230 0.000000\n0.000000 1.804271 4.387288\nNa N\n1 3\ndirect\n0.962970 0.037030 0.500000 Na\n0.020824 0.979176 0.000000 N\n0.230434 0.192425 0.813197 N\n0.807575 0.769566 0.186803 N\n","nsites":4,"nelements":2,"elements":["Na","N"],"chemical_system":"N-Na","density":2.145681656999234,"density_atomic":0.07950544809380275,"volume":50.31101762083887,"volume_molar":7.574500747288299,"formula_full":"Na1 N3","formula_reduced":"NaN3","formula_anonymous":"AB3","energy":-26.74007205,"energy_per_atom":-6.6850180125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.65707205,"band_gap":4.5186,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001959,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.800000Z","spacegroup":5},{"id":"mp-7774","created_at":"2022-09-04T14:48:31.001500Z","structure_string":"Na4 Sb2 Au2\n1.0\n3.797492 -4.695866 0.000000\n3.797492 4.695866 0.000000\n0.000000 0.000000 5.929431\nNa Sb Au\n4 2 2\ndirect\n0.015517 0.656409 0.250000 Na\n0.984483 0.343591 0.750000 Na\n0.656409 0.015517 0.250000 Na\n0.343591 0.984483 0.750000 Na\n0.798126 0.798126 0.750000 Sb\n0.201874 0.201874 0.250000 Sb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n","nsites":8,"nelements":3,"elements":["Na","Sb","Au"],"chemical_system":"Au-Na-Sb","density":5.727519164517034,"density_atomic":0.03782983164938018,"volume":211.47331751689345,"volume_molar":15.919026063386326,"formula_full":"Na4 Sb2 Au2","formula_reduced":"Na2SbAu","formula_anonymous":"ABC2","energy":-24.17032216,"energy_per_atom":-3.02129027,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.78632216,"band_gap":0.3617999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009513,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.815000Z","spacegroup":63},{"id":"mp-1229080","created_at":"2022-09-04T14:48:31.571125Z","structure_string":"Ce5 Cu19 P12\n1.0\n10.901593 6.292987 0.000000\n-10.901593 6.292987 0.000000\n0.000000 0.024315 3.888908\nCe Cu P\n5 19 12\ndirect\n0.333543 0.666734 0.000313 Ce\n0.666734 0.333543 0.000313 Ce\n0.186289 0.000114 0.500478 Ce\n0.813725 0.813725 0.501719 Ce\n0.000114 0.186289 0.500478 Ce\n0.360372 0.881828 0.491394 Cu\n0.521403 0.639556 0.512789 Cu\n0.118036 0.478384 0.488029 Cu\n0.639556 0.521403 0.512789 Cu\n0.478384 0.118036 0.488029 Cu\n0.881828 0.360372 0.491394 Cu\n0.173590 0.793562 0.005078 Cu\n0.620580 0.827345 0.004982 Cu\n0.206448 0.380048 0.995169 Cu\n0.827345 0.620580 0.004982 Cu\n0.380048 0.206448 0.995169 Cu\n0.793562 0.173590 0.005078 Cu\n0.000077 0.000077 0.001274 Cu\n0.999996 0.711668 0.496026 Cu\n0.711668 0.999996 0.496026 Cu\n0.288072 0.288072 0.503586 Cu\n0.999558 0.544884 0.921507 Cu\n0.544884 0.999558 0.921507 Cu\n0.454699 0.454699 0.080453 Cu\n0.175573 0.175573 0.002249 P\n0.999946 0.824575 0.998411 P\n0.824575 0.999946 0.998411 P\n0.311624 0.484988 0.496268 P\n0.173371 0.688229 0.505772 P\n0.515282 0.826749 0.503176 P\n0.688229 0.173371 0.505772 P\n0.826749 0.515282 0.503176 P\n0.484988 0.311624 0.496268 P\n0.361499 0.999920 0.997650 P\n0.638569 0.638569 0.005241 P\n0.999920 0.361499 0.997650 P\n","nsites":36,"nelements":3,"elements":["Ce","Cu","P"],"chemical_system":"Ce-Cu-P","density":7.094319438488855,"density_atomic":0.06746803123463714,"volume":533.5860457347702,"volume_molar":8.92591743051829,"formula_full":"Ce5 Cu19 P12","formula_reduced":"Ce5Cu19P12","formula_anonymous":"A5B12C19","energy":-191.57225685,"energy_per_atom":-5.321451579166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.57225685,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.733458,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.834000Z","spacegroup":8},{"id":"mp-1094495","created_at":"2022-09-04T14:48:27.950776Z","structure_string":"Y2 Mg4\n1.0\n1.743222 -8.454220 0.000000\n1.743222 8.454220 0.000000\n0.000000 0.000000 5.476760\nY Mg\n2 4\ndirect\n0.223782 0.776218 0.250000 Y\n0.776218 0.223782 0.750000 Y\n0.553076 0.446924 0.250000 Mg\n0.893921 0.106079 0.250000 Mg\n0.106079 0.893921 0.750000 Mg\n0.446924 0.553076 0.750000 Mg\n","nsites":6,"nelements":2,"elements":["Y","Mg"],"chemical_system":"Mg-Y","density":2.829123472078739,"density_atomic":0.037168180501736744,"volume":161.42840244008286,"volume_molar":16.202409369268445,"formula_full":"Y2 Mg4","formula_reduced":"YMg2","formula_anonymous":"AB2","energy":-19.03580561,"energy_per_atom":-3.1726342683333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.03580561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1370449,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.847000Z","spacegroup":63},{"id":"mp-7171","created_at":"2022-09-04T14:48:31.207812Z","structure_string":"Tm1 P1\n1.0\n0.000000 2.793174 2.793174\n2.793174 0.000000 2.793174\n2.793174 2.793174 0.000000\nTm P\n1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 P\n","nsites":2,"nelements":2,"elements":["Tm","P"],"chemical_system":"P-Tm","density":7.616496429277321,"density_atomic":0.04588872885068964,"volume":43.58368710773175,"volume_molar":13.123354930127894,"formula_full":"Tm1 P1","formula_reduced":"TmP","formula_anonymous":"AB","energy":-13.09529118,"energy_per_atom":-6.54764559,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.09529118,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022702,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.892000Z","spacegroup":225},{"id":"mp-1048114","created_at":"2022-09-04T14:48:30.636299Z","structure_string":"Ba4 Cr4 F28\n1.0\n10.000995 0.000000 0.000000\n0.000000 5.522784 0.000000\n0.000000 0.779259 9.947848\nBa Cr F\n4 4 28\ndirect\n0.292144 0.743037 0.492935 Ba\n0.792144 0.256963 0.007065 Ba\n0.707856 0.256963 0.507065 Ba\n0.207856 0.743037 0.992935 Ba\n0.613222 0.813398 0.811653 Cr\n0.386778 0.186602 0.188347 Cr\n0.886778 0.813398 0.311653 Cr\n0.113222 0.186602 0.688347 Cr\n0.449665 0.908847 0.128671 F\n0.039816 0.659184 0.363130 F\n0.690803 0.536019 0.759467 F\n0.309197 0.463981 0.240533 F\n0.453085 0.106404 0.359509 F\n0.806995 0.744344 0.478111 F\n0.764187 0.992931 0.759457 F\n0.953085 0.893596 0.140491 F\n0.460184 0.659184 0.863130 F\n0.190803 0.463981 0.740533 F\n0.050335 0.908847 0.628671 F\n0.550335 0.091153 0.871329 F\n0.264187 0.007069 0.740543 F\n0.968068 0.592821 0.915409 F\n0.546915 0.893596 0.640491 F\n0.046915 0.106404 0.859509 F\n0.235813 0.007069 0.240543 F\n0.949665 0.091153 0.371329 F\n0.468068 0.407179 0.584591 F\n0.960184 0.340816 0.636870 F\n0.031932 0.407179 0.084591 F\n0.735813 0.992931 0.259457 F\n0.531932 0.592821 0.415409 F\n0.306995 0.255656 0.021889 F\n0.193005 0.255656 0.521889 F\n0.693005 0.744344 0.978111 F\n0.539816 0.340816 0.136870 F\n0.809197 0.536019 0.259467 F\n","nsites":36,"nelements":3,"elements":["Ba","Cr","F"],"chemical_system":"Ba-Cr-F","density":3.896323881230354,"density_atomic":0.06551972891178628,"volume":549.45282280501,"volume_molar":9.191339555308634,"formula_full":"Ba4 Cr4 F28","formula_reduced":"BaCrF7","formula_anonymous":"ABC7","energy":-205.87405137,"energy_per_atom":-5.718723649166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.94205137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.717677,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.898000Z","spacegroup":14},{"id":"mp-1078000","created_at":"2022-09-04T14:48:30.951385Z","structure_string":"Mn1 Cr2 S4\n1.0\n1.679938 6.303056 0.000000\n-1.679938 6.303056 0.000000\n0.000000 2.470713 5.152539\nMn Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.256305 0.256305 0.687890 Cr\n0.743695 0.743695 0.312110 Cr\n0.354270 0.354270 0.985781 S\n0.645730 0.645730 0.014219 S\n0.117211 0.117211 0.538220 S\n0.882789 0.882789 0.461780 S\n","nsites":7,"nelements":3,"elements":["Mn","Cr","S"],"chemical_system":"Cr-Mn-S","density":4.370419031435157,"density_atomic":0.0641508384715732,"volume":109.11782553086769,"volume_molar":9.387470068171528,"formula_full":"Mn1 Cr2 S4","formula_reduced":"Mn(CrS2)2","formula_anonymous":"AB2C4","energy":-51.32060883,"energy_per_atom":-7.331515547142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.30860883,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.6673496,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.902000Z","spacegroup":12},{"id":"mp-1220455","created_at":"2022-09-04T14:48:29.633728Z","structure_string":"Nb1 W3 S8\n1.0\n3.236920 0.000000 0.000000\n0.000000 5.609311 0.000000\n0.000000 0.000000 13.071172\nNb W S\n1 3 8\ndirect\n0.500000 0.828016 0.500000 Nb\n0.000000 0.338538 0.500000 W\n0.000000 0.666530 0.000000 W\n0.500000 0.166594 0.000000 W\n0.500000 0.833237 0.880901 S\n0.000000 0.333320 0.880907 S\n0.000000 0.661311 0.622357 S\n0.500000 0.172294 0.618794 S\n0.000000 0.661311 0.377643 S\n0.500000 0.172294 0.381206 S\n0.500000 0.833237 0.119099 S\n0.000000 0.333320 0.119093 S\n","nsites":12,"nelements":3,"elements":["Nb","W","S"],"chemical_system":"Nb-S-W","density":6.303649063490515,"density_atomic":0.05056211488426301,"volume":237.331844751116,"volume_molar":11.910381466014064,"formula_full":"Nb1 W3 S8","formula_reduced":"NbW3S8","formula_anonymous":"AB3C8","energy":-96.35116920000002,"energy_per_atom":-8.0292641,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.3271692,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.010723,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.915000Z","spacegroup":25},{"id":"mp-4573","created_at":"2022-09-04T14:48:30.960566Z","structure_string":"Tl1 Sb1 Te2\n1.0\n8.004945 -2.251186 0.000000\n8.004945 2.251186 0.000000\n7.371856 0.000000 3.847430\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.760739 0.760739 0.760739 Te\n0.239261 0.239261 0.239261 Te\n","nsites":4,"nelements":3,"elements":["Tl","Sb","Te"],"chemical_system":"Sb-Te-Tl","density":6.961636047726495,"density_atomic":0.028846261555805015,"volume":138.66614889633908,"volume_molar":20.87667668252182,"formula_full":"Tl1 Sb1 Te2","formula_reduced":"TlSbTe2","formula_anonymous":"ABC2","energy":-14.54522856,"energy_per_atom":-3.63630714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.70122856,"band_gap":0.1551,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.27e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.927000Z","spacegroup":166},{"id":"mp-1104659","created_at":"2022-09-04T14:48:30.055485Z","structure_string":"Dy4 Mn2 Ni2 O12\n1.0\n5.588095 0.000000 0.000000\n0.000000 5.263761 0.000000\n0.000000 5.207853 7.552374\nDy Mn Ni O\n4 2 2 12\ndirect\n0.072306 0.269359 0.749359 Dy\n0.427694 0.269359 0.249359 Dy\n0.927694 0.730641 0.250641 Dy\n0.572306 0.730641 0.750641 Dy\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.704950 0.238294 0.443703 O\n0.795050 0.238294 0.943703 O\n0.295050 0.761706 0.556297 O\n0.204950 0.761706 0.056297 O\n0.186868 0.352694 0.446845 O\n0.313132 0.352694 0.946845 O\n0.813132 0.647306 0.553155 O\n0.686868 0.647306 0.053155 O\n0.464355 0.134827 0.757208 O\n0.035645 0.134827 0.257208 O\n0.535645 0.865173 0.242792 O\n0.964355 0.865173 0.742792 O\n","nsites":20,"nelements":4,"elements":["Dy","Mn","Ni","O"],"chemical_system":"Dy-Mn-Ni-O","density":7.992584497564907,"density_atomic":0.09002985786713617,"volume":222.14852354332828,"volume_molar":6.689048392020484,"formula_full":"Dy4 Mn2 Ni2 O12","formula_reduced":"Dy2MnNiO6","formula_anonymous":"ABC2D6","energy":-164.83378765,"energy_per_atom":-8.2416893825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.17178765,"band_gap":0.5364999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9997448,"is_theoretical":false,"updated_at":"2021-11-28T01:39:55.966000Z","spacegroup":14},{"id":"mp-1643959","created_at":"2022-09-04T14:48:31.263317Z","structure_string":"Nb2 Co6 O16\n1.0\n5.727535 -0.009481 0.020156\n2.855886 5.006283 -0.091218\n0.030382 -0.189318 9.274032\nNb Co O\n2 6 16\ndirect\n0.681620 0.640328 0.503535 Nb\n0.330761 0.327644 0.994320 Nb\n0.170331 0.658932 0.713819 Co\n0.823731 0.344100 0.214689 Co\n0.170037 0.166112 0.712968 Co\n0.331248 0.841758 0.216221 Co\n0.665159 0.165550 0.714278 Co\n0.829166 0.836581 0.216159 Co\n0.329356 0.826063 0.600438 O\n0.153775 0.679895 0.101270 O\n0.526483 0.513544 0.334963 O\n0.477173 0.489336 0.824812 O\n0.690506 0.647690 0.111331 O\n0.344405 0.321540 0.611774 O\n0.972393 0.028308 0.308170 O\n0.992236 0.006550 0.810168 O\n0.840673 0.318167 0.604095 O\n0.656384 0.188516 0.094127 O\n0.531509 0.961999 0.334231 O\n0.036224 0.489110 0.826105 O\n0.964879 0.503744 0.338982 O\n0.481398 0.040617 0.827724 O\n0.155762 0.176583 0.098196 O\n0.844584 0.827540 0.603341 O\n","nsites":24,"nelements":3,"elements":["Nb","Co","O"],"chemical_system":"Co-Nb-O","density":4.964305160112237,"density_atomic":0.0902056531620818,"volume":266.0587131593263,"volume_molar":6.676012587791363,"formula_full":"Nb2 Co6 O16","formula_reduced":"NbCo3O8","formula_anonymous":"AB3C8","energy":-180.01012144,"energy_per_atom":-7.500421726666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.19012144,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003842,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.974000Z","spacegroup":1},{"id":"mp-1018128","created_at":"2022-09-04T14:48:30.488783Z","structure_string":"Sc1 Ag2\n1.0\n-1.790626 1.790626 4.483095\n1.790626 -1.790626 4.483095\n1.790626 1.790626 -4.483095\nSc Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.665396 0.665396 0.000000 Ag\n0.334604 0.334604 0.000000 Ag\n","nsites":3,"nelements":2,"elements":["Sc","Ag"],"chemical_system":"Ag-Sc","density":7.528866830966736,"density_atomic":0.05217633249772856,"volume":57.49733368343974,"volume_molar":11.541901225545447,"formula_full":"Sc1 Ag2","formula_reduced":"ScAg2","formula_anonymous":"AB2","energy":-12.90401464,"energy_per_atom":-4.3013382133333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.90401464,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035842,"is_theoretical":false,"updated_at":"2021-11-28T01:39:56.005000Z","spacegroup":139}]}