{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=46","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=44","results":[{"id":"mp-996952","created_at":"2022-09-04T14:42:14.206822Z","structure_string":"La1 Au1 O2\n1.0\n6.119381 -1.948279 0.000000\n6.119381 1.948279 0.000000\n5.499091 0.000000 3.317018\nLa Au O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.612598 0.612598 0.612598 O\n0.387402 0.387402 0.387402 O\n","nsites":4,"nelements":3,"elements":["La","Au","O"],"chemical_system":"Au-La-O","density":7.723390492942948,"density_atomic":0.05057355982382888,"volume":79.09271196122741,"volume_molar":11.907686113016178,"formula_full":"La1 Au1 O2","formula_reduced":"LaAuO2","formula_anonymous":"ABC2","energy":-28.35797734,"energy_per_atom":-7.089494335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.98397734,"band_gap":2.6833,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.33e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.881000Z","spacegroup":166},{"id":"mp-996948","created_at":"2022-09-04T14:47:38.859620Z","structure_string":"Ca8 Cr16 O32\n1.0\n7.646513 0.000000 0.000000\n0.000000 9.138929 0.000000\n0.000000 0.000000 10.687293\nCa Cr O\n8 16 32\ndirect\n0.501714 0.081408 0.889360 Ca\n0.466937 0.612215 0.682254 Ca\n0.966937 0.112215 0.817746 Ca\n0.001714 0.581408 0.610640 Ca\n0.533063 0.112215 0.317746 Ca\n0.498286 0.581408 0.110640 Ca\n0.998286 0.081408 0.389360 Ca\n0.033063 0.612215 0.182254 Ca\n0.750089 0.771825 0.880345 Cr\n0.751855 0.432640 0.832777 Cr\n0.666376 0.899892 0.622734 Cr\n0.248145 0.932640 0.167223 Cr\n0.250089 0.271825 0.619655 Cr\n0.833624 0.899892 0.122734 Cr\n0.749911 0.771825 0.380345 Cr\n0.333624 0.399892 0.377266 Cr\n0.319802 0.740147 0.414833 Cr\n0.819802 0.240147 0.085167 Cr\n0.680198 0.240147 0.585167 Cr\n0.748145 0.432640 0.332777 Cr\n0.251855 0.932640 0.667223 Cr\n0.166376 0.399892 0.877266 Cr\n0.249911 0.271825 0.119655 Cr\n0.180198 0.740147 0.914833 Cr\n0.347968 0.918778 0.327671 O\n0.684392 0.284529 0.942803 O\n0.949318 0.723367 0.988389 O\n0.209626 0.587780 0.791515 O\n0.247313 0.463923 0.039449 O\n0.978032 0.366141 0.755933 O\n0.747313 0.963923 0.460551 O\n0.815608 0.284529 0.442803 O\n0.790374 0.087780 0.208485 O\n0.184392 0.784529 0.557197 O\n0.550682 0.723367 0.488389 O\n0.152032 0.918778 0.827671 O\n0.478032 0.866141 0.744067 O\n0.252687 0.463923 0.539449 O\n0.115018 0.094239 0.601120 O\n0.704072 0.743315 0.205058 O\n0.050682 0.223367 0.011611 O\n0.709626 0.087780 0.708485 O\n0.315608 0.784529 0.057197 O\n0.290374 0.587780 0.291515 O\n0.204072 0.243315 0.294942 O\n0.752687 0.963923 0.960551 O\n0.521968 0.366141 0.255933 O\n0.884982 0.594239 0.398880 O\n0.795928 0.743315 0.705058 O\n0.295928 0.243315 0.794942 O\n0.449318 0.223367 0.511611 O\n0.384982 0.094239 0.101120 O\n0.847968 0.418778 0.172329 O\n0.021968 0.866141 0.244067 O\n0.615018 0.594239 0.898880 O\n0.652032 0.418778 0.672329 O\n","nsites":56,"nelements":3,"elements":["Ca","Cr","O"],"chemical_system":"Ca-Cr-O","density":3.7009865692028803,"density_atomic":0.07498278664367099,"volume":746.8380745319599,"volume_molar":8.031364303140776,"formula_full":"Ca8 Cr16 O32","formula_reduced":"CaCr2O4","formula_anonymous":"AB2C4","energy":-461.37390079,"energy_per_atom":-8.238819656964285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.40590079,"band_gap":0.8691,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.0008695,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.036000Z","spacegroup":33},{"id":"mp-996945","created_at":"2022-09-04T14:44:09.966431Z","structure_string":"Cs2 Tl1 In1 H6\n1.0\n0.000000 4.583113 4.583113\n4.583113 0.000000 4.583113\n4.583113 4.583113 0.000000\nCs Tl In H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n0.284302 0.715698 0.715698 H\n0.284302 0.715698 0.284302 H\n0.715698 0.284302 0.715698 H\n0.715698 0.715698 0.284302 H\n0.284302 0.284302 0.715698 H\n0.715698 0.284302 0.284302 H\n","nsites":10,"nelements":4,"elements":["Cs","Tl","In","H"],"chemical_system":"Cs-H-In-Tl","density":5.097636465373339,"density_atomic":0.051938369135399426,"volume":192.53588756186687,"volume_molar":11.594782162490956,"formula_full":"Cs2 Tl1 In1 H6","formula_reduced":"Cs2TlInH6","formula_anonymous":"ABC2D6","energy":-28.16113736,"energy_per_atom":-2.816113736,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.08713736,"band_gap":0.4116999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.71e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.135000Z","spacegroup":225},{"id":"mp-996944","created_at":"2022-09-04T14:43:43.766241Z","structure_string":"Cs2 Tl1 In1 Br6\n1.0\n0.000000 5.900906 5.900906\n5.900906 0.000000 5.900906\n5.900906 5.900906 0.000000\nCs Tl In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.769378 0.230622 0.230622 Br\n0.230622 0.230622 0.769378 Br\n0.230622 0.769378 0.769378 Br\n0.230622 0.769378 0.230622 Br\n0.769378 0.230622 0.769378 Br\n0.769378 0.769378 0.230622 Br\n","nsites":10,"nelements":4,"elements":["Cs","Tl","In","Br"],"chemical_system":"Br-Cs-In-Tl","density":4.301130798573819,"density_atomic":0.02433402303742079,"volume":410.9472562190818,"volume_molar":24.74782221887096,"formula_full":"Cs2 Tl1 In1 Br6","formula_reduced":"Cs2TlInBr6","formula_anonymous":"ABC2D6","energy":-32.53867587,"energy_per_atom":-3.253867587,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.33467587,"band_gap":1.8255,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000144,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.972000Z","spacegroup":225},{"id":"mp-996943","created_at":"2022-09-04T14:48:30.210575Z","structure_string":"Cs2 Na1 In1 Br6\n1.0\n0.000000 5.678365 5.678365\n5.678365 0.000000 5.678365\n5.678365 5.678365 0.000000\nCs Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.760701 0.239299 0.239299 Br\n0.239299 0.239299 0.760701 Br\n0.239299 0.760701 0.760701 Br\n0.239299 0.760701 0.239299 Br\n0.760701 0.239299 0.760701 Br\n0.760701 0.760701 0.239299 Br\n","nsites":10,"nelements":4,"elements":["Cs","Na","In","Br"],"chemical_system":"Br-Cs-In-Na","density":4.004339376709322,"density_atomic":0.027308641044013326,"volume":366.1844609507666,"volume_molar":22.0521436797024,"formula_full":"Cs2 Na1 In1 Br6","formula_reduced":"Cs2NaInBr6","formula_anonymous":"ABC2D6","energy":-32.90426344,"energy_per_atom":-3.290426344,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.70026344,"band_gap":1.8935,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.7e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.622000Z","spacegroup":225},{"id":"mp-996942","created_at":"2022-09-04T14:40:07.437450Z","structure_string":"Ba6 In2 N1 F1\n1.0\n0.000000 5.636050 5.636050\n5.636050 0.000000 5.636050\n5.636050 5.636050 0.000000\nBa In N F\n6 2 1 1\ndirect\n0.241696 0.758304 0.758304 Ba\n0.241696 0.758304 0.241696 Ba\n0.758304 0.241696 0.758304 Ba\n0.758304 0.758304 0.241696 Ba\n0.241696 0.241696 0.758304 Ba\n0.758304 0.241696 0.241696 Ba\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n","nsites":10,"nelements":4,"elements":["Ba","In","N","F"],"chemical_system":"Ba-F-In-N","density":5.039245665764091,"density_atomic":0.027928363764623716,"volume":358.05892834534023,"volume_molar":21.562812668703927,"formula_full":"Ba6 In2 N1 F1","formula_reduced":"Ba6In2NF","formula_anonymous":"ABC2D6","energy":-36.6057496,"energy_per_atom":-3.6605749600000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.1437496,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0242792,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.991000Z","spacegroup":225},{"id":"mp-996941","created_at":"2022-09-04T14:44:06.138249Z","structure_string":"Cs2 Rb1 In1 Br6\n1.0\n0.000000 5.983036 5.983036\n5.983036 0.000000 5.983036\n5.983036 5.983036 0.000000\nCs Rb In Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.226307 0.773693 0.773693 Br\n0.226307 0.773693 0.226307 Br\n0.773693 0.226307 0.773693 Br\n0.773693 0.773693 0.226307 Br\n0.226307 0.226307 0.773693 Br\n0.773693 0.226307 0.226307 Br\n","nsites":10,"nelements":4,"elements":["Cs","Rb","In","Br"],"chemical_system":"Br-Cs-In-Rb","density":3.6654330944888427,"density_atomic":0.02334560624668408,"volume":428.346126218948,"volume_molar":25.795606660912316,"formula_full":"Cs2 Rb1 In1 Br6","formula_reduced":"Cs2RbInBr6","formula_anonymous":"ABC2D6","energy":-32.75028772,"energy_per_atom":-3.275028772,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.54628772,"band_gap":2.5058,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.923000Z","spacegroup":225},{"id":"mp-996940","created_at":"2022-09-04T14:48:28.976902Z","structure_string":"Ti2 Re2 N6\n1.0\n4.956718 -2.552200 0.000000\n4.956718 2.552200 0.000000\n3.642597 0.000000 4.220694\nTi Re N\n2 2 6\ndirect\n0.006189 0.006189 0.006189 Ti\n0.506189 0.506189 0.506189 Ti\n0.701629 0.701629 0.701629 Re\n0.201629 0.201629 0.201629 Re\n0.928750 0.587936 0.293786 N\n0.587936 0.293786 0.928750 N\n0.793786 0.087936 0.428750 N\n0.087936 0.428750 0.793786 N\n0.293786 0.928750 0.587936 N\n0.428750 0.793786 0.087936 N\n","nsites":10,"nelements":3,"elements":["Ti","Re","N"],"chemical_system":"N-Re-Ti","density":8.586445954775316,"density_atomic":0.09364341031854537,"volume":106.7880800793473,"volume_molar":6.430928497279814,"formula_full":"Ti2 Re2 N6","formula_reduced":"TiReN3","formula_anonymous":"ABC3","energy":-98.01000126,"energy_per_atom":-9.801000126,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.84400126,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001037,"is_theoretical":true,"updated_at":"2021-11-28T01:39:48.246000Z","spacegroup":161},{"id":"mp-9969","created_at":"2022-09-04T14:44:08.377574Z","structure_string":"Sc2 Si2\n1.0\n2.001273 -4.952787 0.000000\n2.001273 4.952787 0.000000\n0.000000 0.000000 3.667931\nSc Si\n2 2\ndirect\n0.138881 0.861119 0.250000 Sc\n0.861119 0.138881 0.750000 Sc\n0.418708 0.581292 0.250000 Si\n0.581292 0.418708 0.750000 Si\n","nsites":4,"nelements":2,"elements":["Sc","Si"],"chemical_system":"Sc-Si","density":3.336115770038882,"density_atomic":0.055011419455507804,"volume":72.71217575534702,"volume_molar":10.947073934113977,"formula_full":"Sc2 Si2","formula_reduced":"ScSi","formula_anonymous":"AB","energy":-26.72010168,"energy_per_atom":-6.68002542,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.86210168,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063526,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.296000Z","spacegroup":63},{"id":"mp-9968","created_at":"2022-09-04T14:40:17.710528Z","structure_string":"Pr4 Si4\n1.0\n3.968320 0.000000 0.000000\n0.000000 5.972022 0.000000\n0.000000 0.000000 8.339572\nPr Si\n4 4\ndirect\n0.250000 0.386229 0.679739 Pr\n0.750000 0.613771 0.320261 Pr\n0.750000 0.886229 0.820261 Pr\n0.250000 0.113771 0.179739 Pr\n0.250000 0.879579 0.534763 Si\n0.750000 0.120421 0.465237 Si\n0.750000 0.379579 0.965237 Si\n0.250000 0.620421 0.034763 Si\n","nsites":8,"nelements":2,"elements":["Pr","Si"],"chemical_system":"Pr-Si","density":5.679450813393057,"density_atomic":0.040477915524468444,"volume":197.63863569417478,"volume_molar":14.877596047058512,"formula_full":"Pr4 Si4","formula_reduced":"PrSi","formula_anonymous":"AB","energy":-46.47206279,"energy_per_atom":-5.80900784875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.75606279,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0130411,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.185000Z","spacegroup":62},{"id":"mp-9967","created_at":"2022-09-04T14:40:27.714400Z","structure_string":"Nd4 Si4\n1.0\n3.945045 0.000000 0.000000\n0.000000 5.924178 0.000000\n0.000000 0.000000 8.262030\nNd Si\n4 4\ndirect\n0.250000 0.386290 0.679648 Nd\n0.750000 0.613710 0.320352 Nd\n0.750000 0.886290 0.820352 Nd\n0.250000 0.113710 0.179648 Nd\n0.250000 0.878022 0.535335 Si\n0.750000 0.121978 0.464665 Si\n0.750000 0.378022 0.964665 Si\n0.250000 0.621978 0.035335 Si\n","nsites":8,"nelements":2,"elements":["Nd","Si"],"chemical_system":"Nd-Si","density":5.927845124044336,"density_atomic":0.04143078470100388,"volume":193.09313250362254,"volume_molar":14.535425296576829,"formula_full":"Nd4 Si4","formula_reduced":"NdSi","formula_anonymous":"AB","energy":-46.58779678,"energy_per_atom":-5.8234745975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.87179678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057857,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.096000Z","spacegroup":62},{"id":"mp-9964","created_at":"2022-09-04T14:47:09.300150Z","structure_string":"Ti3 Tl1 N1\n1.0\n4.214039 0.000000 0.000000\n0.000000 4.214039 0.000000\n0.000000 0.000000 4.214039\nTi Tl N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["Ti","Tl","N"],"chemical_system":"N-Ti-Tl","density":8.032508960953571,"density_atomic":0.06681505843451964,"volume":74.83343002536053,"volume_molar":9.013148983326628,"formula_full":"Ti3 Tl1 N1","formula_reduced":"Ti3TlN","formula_anonymous":"ABC3","energy":-38.51669799,"energy_per_atom":-7.7033395979999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.15569799,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003617,"is_theoretical":false,"updated_at":"2021-11-28T01:37:57.743000Z","spacegroup":221}]}