{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=14","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12","results":[{"id":"mp-1041365","created_at":"2022-09-04T14:43:39.393202Z","structure_string":"Mg2 Bi8 O18\n1.0\n5.738213 0.000000 0.000000\n0.000000 8.243729 0.000000\n0.000000 7.146175 8.877716\nMg Bi O\n2 8 18\ndirect\n0.287578 0.000000 0.750000 Mg\n0.712422 0.000000 0.250000 Mg\n0.774148 0.620124 0.857281 Bi\n0.315342 0.207330 0.936445 Bi\n0.684658 0.207330 0.436445 Bi\n0.225852 0.620124 0.357281 Bi\n0.774148 0.379876 0.642719 Bi\n0.684658 0.792670 0.063555 Bi\n0.225852 0.379876 0.142719 Bi\n0.315342 0.792670 0.563555 Bi\n0.469942 0.500000 0.750000 O\n0.530058 0.500000 0.250000 O\n0.043156 0.692326 0.496986 O\n0.876895 0.179099 0.292681 O\n0.876895 0.820901 0.207319 O\n0.043156 0.307674 0.003014 O\n0.956844 0.307674 0.503014 O\n0.123105 0.820901 0.707319 O\n0.123105 0.179099 0.792681 O\n0.956844 0.692326 0.996986 O\n0.636820 0.116625 0.880450 O\n0.485870 0.254243 0.576012 O\n0.485870 0.745757 0.923988 O\n0.636820 0.883375 0.619550 O\n0.363180 0.116625 0.380450 O\n0.514130 0.745757 0.423988 O\n0.514130 0.254243 0.076012 O\n0.363180 0.883375 0.119550 O\n","nsites":28,"nelements":3,"elements":["Mg","Bi","O"],"chemical_system":"Bi-Mg-O","density":7.941578977953665,"density_atomic":0.06667398484496229,"volume":419.95390053719893,"volume_molar":9.03221964909304,"formula_full":"Mg2 Bi8 O18","formula_reduced":"MgBi4O9","formula_anonymous":"AB4C9","energy":-169.57728539,"energy_per_atom":-6.056331621071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.21128539,"band_gap":0.8436000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000707,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.350000Z","spacegroup":13},{"id":"mp-540578","created_at":"2022-09-04T14:43:39.397982Z","structure_string":"Cs8 Zn4 Cl16\n1.0\n7.433432 0.000000 0.000000\n0.000000 9.986962 0.000000\n0.000000 0.000000 13.399083\nCs Zn Cl\n8 4 16\ndirect\n0.750000 0.138469 0.096215 Cs\n0.250000 0.861531 0.903785 Cs\n0.750000 0.638469 0.403785 Cs\n0.250000 0.361531 0.596215 Cs\n0.750000 0.485458 0.826222 Cs\n0.250000 0.514542 0.173778 Cs\n0.750000 0.985458 0.673778 Cs\n0.250000 0.014542 0.326222 Cs\n0.750000 0.733212 0.076913 Zn\n0.250000 0.266788 0.923087 Zn\n0.750000 0.233212 0.423087 Zn\n0.250000 0.766788 0.576913 Zn\n0.750000 0.505800 0.092163 Cl\n0.250000 0.494200 0.907837 Cl\n0.750000 0.005800 0.407837 Cl\n0.250000 0.994200 0.592163 Cl\n0.750000 0.815267 0.916939 Cl\n0.250000 0.184733 0.083061 Cl\n0.750000 0.315267 0.583061 Cl\n0.250000 0.684733 0.416939 Cl\n0.500662 0.820102 0.153431 Cl\n0.000662 0.179898 0.846569 Cl\n0.999338 0.320102 0.346569 Cl\n0.499338 0.679898 0.653431 Cl\n0.499338 0.179898 0.846569 Cl\n0.999338 0.820102 0.153431 Cl\n0.000662 0.679898 0.653431 Cl\n0.500662 0.320102 0.346569 Cl\n","nsites":28,"nelements":3,"elements":["Cs","Zn","Cl"],"chemical_system":"Cl-Cs-Zn","density":3.158651223451412,"density_atomic":0.028148819335853243,"volume":994.7131233435539,"volume_molar":21.39393730212187,"formula_full":"Cs8 Zn4 Cl16","formula_reduced":"Cs2ZnCl4","formula_anonymous":"AB2C4","energy":-99.02982602,"energy_per_atom":-3.5367795007142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.20582602,"band_gap":4.6088,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002806,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.688000Z","spacegroup":62},{"id":"mp-1207237","created_at":"2022-09-04T14:43:39.923001Z","structure_string":"Ho2 Ga1 Ni2\n1.0\n-4.197074 0.000000 0.000000\n-2.098536 -2.667160 4.104537\n-2.098536 2.667160 4.104537\nHo Ga Ni\n2 1 2\ndirect\n0.202036 0.297964 0.297964 Ho\n0.797964 0.702036 0.702036 Ho\n0.000000 0.000000 0.000000 Ga\n0.500000 0.268452 0.731548 Ni\n0.500000 0.731548 0.268452 Ni\n","nsites":5,"nelements":3,"elements":["Ho","Ga","Ni"],"chemical_system":"Ga-Ho-Ni","density":9.341679049757367,"density_atomic":0.05441017690665552,"volume":91.89457348352039,"volume_molar":11.068041131958468,"formula_full":"Ho2 Ga1 Ni2","formula_reduced":"Ho2GaNi2","formula_anonymous":"AB2C2","energy":-26.68555624,"energy_per_atom":-5.337111248,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.68555624,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011622,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.376000Z","spacegroup":71},{"id":"mp-1077372","created_at":"2022-09-04T14:43:39.949645Z","structure_string":"Zr4 Cu2\n1.0\n1.650519 5.385876 0.000000\n-1.650519 5.385876 0.000000\n0.000000 4.481050 6.628086\nZr Cu\n4 2\ndirect\n0.079574 0.079574 0.156629 Zr\n0.920426 0.920426 0.843371 Zr\n0.658457 0.658457 0.440401 Zr\n0.341543 0.341543 0.559599 Zr\n0.369705 0.369705 0.154874 Cu\n0.630295 0.630295 0.845126 Cu\n","nsites":6,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":6.932798834164342,"density_atomic":0.05091623021845603,"volume":117.84061730919603,"volume_molar":11.827546411354518,"formula_full":"Zr4 Cu2","formula_reduced":"Zr2Cu","formula_anonymous":"AB2","energy":-42.84304711,"energy_per_atom":-7.1405078516666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.84304711,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0025238,"is_theoretical":false,"updated_at":"2021-11-28T01:36:21.005000Z","spacegroup":12},{"id":"mp-761029","created_at":"2022-09-04T14:43:39.964324Z","structure_string":"Li6 V6 P16 O58\n1.0\n4.890364 -8.470359 0.000000\n4.890364 8.470359 0.000000\n0.000000 0.000000 14.228395\nLi V P O\n6 6 16 58\ndirect\n0.980286 0.421519 0.942278 Li\n0.980286 0.558767 0.442278 Li\n0.441233 0.421519 0.442278 Li\n0.578481 0.558767 0.942278 Li\n0.441233 0.019714 0.942278 Li\n0.578481 0.019714 0.442278 Li\n0.668014 0.768474 0.748122 V\n0.668014 0.899540 0.248122 V\n0.100460 0.768474 0.248122 V\n0.231526 0.899540 0.748122 V\n0.100460 0.331986 0.748122 V\n0.231526 0.331986 0.248122 V\n0.983717 0.420784 0.157874 P\n0.983717 0.562933 0.657874 P\n0.437067 0.420784 0.657874 P\n0.333333 0.666667 0.869830 P\n0.333333 0.666667 0.369830 P\n0.579216 0.562933 0.157874 P\n0.753106 0.648254 0.339397 P\n0.437067 0.016283 0.157874 P\n0.895148 0.648254 0.839397 P\n0.579216 0.016283 0.657874 P\n0.753106 0.104852 0.839397 P\n0.000000 0.000000 0.630493 P\n0.000000 0.000000 0.130493 P\n0.895148 0.246894 0.339397 P\n0.351746 0.104852 0.339397 P\n0.351746 0.246894 0.839397 P\n0.904245 0.341742 0.422431 O\n0.008716 0.419178 0.670281 O\n0.904245 0.562503 0.922431 O\n0.008716 0.589537 0.170281 O\n0.145581 0.429799 0.179473 O\n0.182061 0.516627 0.828936 O\n0.284218 0.429799 0.679473 O\n0.437497 0.341742 0.922431 O\n0.410463 0.419178 0.170281 O\n0.182061 0.665433 0.328936 O\n0.145581 0.715782 0.679473 O\n0.334567 0.516627 0.328936 O\n0.333333 0.666667 0.974401 O\n0.333333 0.666667 0.474401 O\n0.483373 0.665433 0.828936 O\n0.284218 0.854419 0.179473 O\n0.334567 0.817939 0.828936 O\n0.580822 0.589537 0.670281 O\n0.677939 0.547841 0.243290 O\n0.658258 0.562503 0.422431 O\n0.653930 0.573330 0.066146 O\n0.570201 0.715782 0.179473 O\n0.483373 0.817939 0.328936 O\n0.750549 0.673741 0.839600 O\n0.570201 0.854419 0.679473 O\n0.410463 0.991284 0.670281 O\n0.869902 0.547841 0.743290 O\n0.919400 0.573330 0.566146 O\n0.437497 0.095755 0.422431 O\n0.923192 0.673741 0.339600 O\n0.760729 0.809325 0.322054 O\n0.580822 0.991284 0.170281 O\n0.850485 0.852774 0.675484 O\n0.760729 0.951404 0.822054 O\n0.658258 0.095755 0.922431 O\n0.653930 0.080600 0.566146 O\n0.677939 0.130098 0.743290 O\n0.750549 0.076808 0.339600 O\n0.002290 0.852774 0.175484 O\n0.048596 0.809325 0.822054 O\n0.850485 0.997710 0.175484 O\n0.000000 0.000000 0.026982 O\n0.000000 0.000000 0.526982 O\n0.002290 0.149515 0.675484 O\n0.190675 0.951404 0.322054 O\n0.147226 0.997710 0.675484 O\n0.923192 0.249451 0.839600 O\n0.869902 0.322061 0.243290 O\n0.919400 0.346070 0.066146 O\n0.048596 0.239271 0.322054 O\n0.147226 0.149515 0.175484 O\n0.190675 0.239271 0.822054 O\n0.326259 0.076808 0.839600 O\n0.426670 0.080600 0.066146 O\n0.452159 0.130098 0.243290 O\n0.326259 0.249451 0.339600 O\n0.426670 0.346070 0.566146 O\n0.452159 0.322061 0.743290 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.4945924565102047,"density_atomic":0.07295743200289481,"volume":1178.7695597151458,"volume_molar":8.254321176985853,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-656.9471581500001,"energy_per_atom":-7.638920443604652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.90115815,"band_gap":1.2239,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0134833,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.442000Z","spacegroup":158},{"id":"mp-1102308","created_at":"2022-09-04T14:43:40.072456Z","structure_string":"Ba1 Sn1 P2 O8\n1.0\n4.168222 2.651897 -0.321872\n4.168222 -2.651897 -0.321872\n-0.020227 0.000000 -8.032348\nBa Sn P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sn\n0.368460 0.368460 0.291631 P\n0.631540 0.631540 0.708369 P\n0.716514 0.236289 0.309275 O\n0.236289 0.716514 0.309275 O\n0.283486 0.763711 0.690725 O\n0.763711 0.283486 0.690725 O\n0.240081 0.240081 0.439088 O\n0.759919 0.759919 0.560912 O\n0.311079 0.311079 0.115819 O\n0.688921 0.688921 0.884181 O\n","nsites":12,"nelements":4,"elements":["Ba","Sn","P","O"],"chemical_system":"Ba-O-P-Sn","density":4.169651555053619,"density_atomic":0.06756422476290876,"volume":177.60878692990985,"volume_molar":8.913209292539712,"formula_full":"Ba1 Sn1 P2 O8","formula_reduced":"BaSn(PO4)2","formula_anonymous":"ABC2D8","energy":-90.30307182,"energy_per_atom":-7.525255985,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.80707182,"band_gap":3.7037,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.84e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.235000Z","spacegroup":12},{"id":"mp-1224329","created_at":"2022-09-04T14:43:40.383782Z","structure_string":"Hf4 Al1 Si1\n1.0\n-3.341436 3.341436 2.624240\n3.341436 -3.341436 2.624240\n3.341436 3.341436 -2.624240\nHf Al Si\n4 1 1\ndirect\n0.404131 0.904131 0.808262 Hf\n0.095869 0.595869 0.191738 Hf\n0.595869 0.404131 0.500000 Hf\n0.904131 0.095869 0.500000 Hf\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Hf","Al","Si"],"chemical_system":"Al-Hf-Si","density":10.895843838790475,"density_atomic":0.051194276943737016,"volume":117.2006005006,"volume_molar":11.76330855618566,"formula_full":"Hf4 Al1 Si1","formula_reduced":"Hf4AlSi","formula_anonymous":"ABC4","energy":-52.00489316,"energy_per_atom":-8.667482193333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.07589316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.759000Z","spacegroup":97},{"id":"mp-559610","created_at":"2022-09-04T14:43:39.399204Z","structure_string":"Rb8 Na4 Al8 P12 O48\n1.0\n8.335898 0.000000 0.000000\n0.000000 4.911724 0.000000\n0.000000 0.249222 28.727982\nRb Na Al P O\n8 4 8 12 48\ndirect\n0.479194 0.262734 0.829073 Rb\n0.143498 0.272810 0.952475 Rb\n0.520806 0.737266 0.170927 Rb\n0.020806 0.262734 0.329073 Rb\n0.356502 0.272810 0.452475 Rb\n0.856502 0.727190 0.047525 Rb\n0.979194 0.737266 0.670927 Rb\n0.643498 0.727190 0.547525 Rb\n0.551977 0.221453 0.046920 Na\n0.448023 0.778547 0.953080 Na\n0.051977 0.778547 0.453080 Na\n0.948023 0.221453 0.546920 Na\n0.030427 0.267275 0.792383 Al\n0.185615 0.189123 0.104590 Al\n0.685615 0.810877 0.395410 Al\n0.530427 0.732725 0.707617 Al\n0.469573 0.267275 0.292383 Al\n0.969573 0.732725 0.207617 Al\n0.814385 0.810877 0.895410 Al\n0.314385 0.189123 0.604590 Al\n0.839725 0.242854 0.143303 P\n0.160275 0.757146 0.856697 P\n0.692564 0.301547 0.951678 P\n0.339725 0.757146 0.356697 P\n0.660275 0.242854 0.643303 P\n0.715084 0.773912 0.290940 P\n0.284916 0.226088 0.709060 P\n0.307436 0.698453 0.048322 P\n0.807436 0.301547 0.451678 P\n0.784916 0.773912 0.790940 P\n0.192564 0.698453 0.548322 P\n0.215084 0.226088 0.209060 P\n0.752395 0.146172 0.907040 O\n0.373269 0.245167 0.236437 O\n0.589010 0.578467 0.271803 O\n0.710073 0.222406 0.494676 O\n0.126731 0.245167 0.736437 O\n0.252395 0.853828 0.592960 O\n0.178513 0.767166 0.381351 O\n0.910990 0.578467 0.771803 O\n0.343200 0.927250 0.708202 O\n0.488656 0.735356 0.042268 O\n0.628365 0.534533 0.662195 O\n0.747605 0.146172 0.407040 O\n0.988656 0.264644 0.457732 O\n0.726289 0.613641 0.940090 O\n0.247605 0.853828 0.092960 O\n0.737181 0.694563 0.842229 O\n0.262819 0.305437 0.157771 O\n0.873269 0.754833 0.263563 O\n0.626731 0.754833 0.763563 O\n0.354282 0.969222 0.317426 O\n0.410990 0.421533 0.728197 O\n0.762819 0.694563 0.342229 O\n0.371635 0.465467 0.337805 O\n0.678513 0.232834 0.118649 O\n0.273711 0.386359 0.059910 O\n0.645718 0.030778 0.682574 O\n0.789927 0.222406 0.994676 O\n0.821487 0.232834 0.618649 O\n0.210073 0.777594 0.005324 O\n0.475161 0.807108 0.395024 O\n0.156800 0.927250 0.208202 O\n0.656800 0.072750 0.291798 O\n0.024839 0.807108 0.895024 O\n0.321487 0.767166 0.881351 O\n0.237181 0.305437 0.657771 O\n0.011344 0.735356 0.542268 O\n0.226289 0.386359 0.559910 O\n0.289927 0.777594 0.505324 O\n0.871635 0.534533 0.162195 O\n0.773711 0.613641 0.440090 O\n0.089010 0.421533 0.228197 O\n0.843200 0.072750 0.791798 O\n0.975161 0.192892 0.104976 O\n0.524839 0.192892 0.604976 O\n0.511344 0.264644 0.957732 O\n0.128365 0.465467 0.837805 O\n0.854282 0.030778 0.182574 O\n0.145718 0.969222 0.817426 O\n","nsites":80,"nelements":5,"elements":["Rb","Na","Al","P","O"],"chemical_system":"Al-Na-O-P-Rb","density":3.008734752869026,"density_atomic":0.06801403181477098,"volume":1176.227873358126,"volume_molar":8.85426227399761,"formula_full":"Rb8 Na4 Al8 P12 O48","formula_reduced":"Rb2NaAl2(PO4)3","formula_anonymous":"AB2C2D3E12","energy":-579.62186216,"energy_per_atom":-7.245273277,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-546.64586216,"band_gap":4.6183,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040096,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.360000Z","spacegroup":14},{"id":"mp-1093565","created_at":"2022-09-04T14:43:39.912780Z","structure_string":"V2 Os1 W1\n1.0\n-4.505223 5.235955 7.484087\n4.505223 -5.235955 7.484087\n4.505223 5.235955 -7.484087\nV Os W\n2 1 1\ndirect\n0.000000 0.252439 0.252439 V\n0.000000 0.747561 0.747561 V\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 W\n","nsites":4,"nelements":3,"elements":["V","Os","W"],"chemical_system":"Os-V-W","density":1.1191856919493552,"density_atomic":0.005664335575845665,"volume":706.172850538223,"volume_molar":106.31680767079052,"formula_full":"V2 Os1 W1","formula_reduced":"V2OsW","formula_anonymous":"ABC2","energy":-24.7734882,"energy_per_atom":-6.19337205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.7734882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9989354,"is_theoretical":true,"updated_at":"2021-11-28T01:36:20.054000Z","spacegroup":71},{"id":"mp-643614","created_at":"2022-09-04T14:43:39.924845Z","structure_string":"Nd3 Mn18 Sn18\n1.0\n5.411714 -0.000294 -0.996508\n-0.490649 8.638156 -2.663237\n0.002054 -0.057595 15.214083\nNd Mn Sn\n3 18 18\ndirect\n0.329745 0.829961 0.661181 Nd\n0.668600 0.168809 0.339043 Nd\n0.999684 0.998970 0.000791 Nd\n0.167582 0.414552 0.334301 Mn\n0.332346 0.834817 0.167618 Mn\n0.668284 0.667889 0.833715 Mn\n0.500493 0.752580 0.000492 Mn\n0.164231 0.164603 0.832521 Mn\n0.835011 0.331214 0.167846 Mn\n0.829629 0.079711 0.666065 Mn\n0.164878 0.667782 0.833184 Mn\n0.498737 0.997957 0.500250 Mn\n0.500960 0.246223 0.000444 Mn\n0.999002 0.997747 0.500498 Mn\n0.000057 0.498261 0.499900 Mn\n0.834855 0.835078 0.167441 Mn\n0.832875 0.583722 0.666361 Mn\n0.332577 0.331336 0.167896 Mn\n0.166562 0.917898 0.334094 Mn\n0.666156 0.164140 0.832543 Mn\n0.499732 0.498162 0.500246 Mn\n0.001224 0.333863 0.000653 Sn\n0.886720 0.886908 0.775587 Sn\n0.112297 0.112249 0.225243 Sn\n0.224564 0.223622 0.450567 Sn\n0.444031 0.444365 0.889773 Sn\n0.109851 0.609287 0.219849 Sn\n0.780484 0.279378 0.562722 Sn\n0.888393 0.389319 0.780335 Sn\n0.218626 0.717450 0.437732 Sn\n0.334420 0.497925 0.668447 Sn\n0.556807 0.056312 0.113887 Sn\n0.666060 0.501007 0.332392 Sn\n0.441987 0.942645 0.886399 Sn\n0.331187 0.169502 0.667561 Sn\n0.774212 0.773130 0.550451 Sn\n0.666167 0.829740 0.332535 Sn\n0.556197 0.554553 0.111587 Sn\n0.000035 0.663381 0.000216 Sn\n","nsites":39,"nelements":3,"elements":["Nd","Mn","Sn"],"chemical_system":"Mn-Nd-Sn","density":8.317944380195055,"density_atomic":0.0549006994664297,"volume":710.3734629801475,"volume_molar":10.969151246756658,"formula_full":"Nd3 Mn18 Sn18","formula_reduced":"Nd(MnSn)6","formula_anonymous":"AB6C6","energy":-256.31156276,"energy_per_atom":-6.572091352820514,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.31156276,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.9036404,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.048000Z","spacegroup":71},{"id":"mp-1214486","created_at":"2022-09-04T14:43:39.927942Z","structure_string":"Ba7 Fe7 F34\n1.0\n5.778272 8.645992 0.000000\n-5.778272 8.645992 0.000000\n0.000000 1.702704 7.744444\nBa Fe F\n7 7 34\ndirect\n0.449630 0.839615 0.200253 Ba\n0.550370 0.160385 0.799747 Ba\n0.160385 0.550370 0.799747 Ba\n0.839615 0.449630 0.200253 Ba\n0.000000 0.000000 0.500000 Ba\n0.738403 0.738403 0.615293 Ba\n0.261597 0.261597 0.384707 Ba\n0.647585 0.137482 0.299733 Fe\n0.352415 0.862518 0.700267 Fe\n0.862518 0.352415 0.700267 Fe\n0.137482 0.647585 0.299733 Fe\n0.834820 0.834820 0.039714 Fe\n0.165180 0.165180 0.960286 Fe\n0.500000 0.500000 0.000000 Fe\n0.219236 0.784463 0.303941 F\n0.780764 0.215537 0.696059 F\n0.215537 0.780764 0.696059 F\n0.784463 0.219236 0.303941 F\n0.738460 0.997987 0.488621 F\n0.261540 0.002013 0.511379 F\n0.002013 0.261540 0.511379 F\n0.997987 0.738460 0.488621 F\n0.897683 0.897683 0.807460 F\n0.102317 0.102317 0.192540 F\n0.348211 0.111162 0.043298 F\n0.651789 0.888838 0.956702 F\n0.888838 0.651789 0.956702 F\n0.111162 0.348211 0.043298 F\n0.776042 0.020840 0.118874 F\n0.223958 0.979160 0.881126 F\n0.979160 0.223958 0.881126 F\n0.020840 0.776042 0.118874 F\n0.753696 0.753696 0.255788 F\n0.246304 0.246304 0.744212 F\n0.508840 0.244054 0.471551 F\n0.491160 0.755946 0.528449 F\n0.755946 0.491160 0.528449 F\n0.244054 0.508840 0.471551 F\n0.550721 0.282728 0.116330 F\n0.449279 0.717272 0.883670 F\n0.717272 0.449279 0.883670 F\n0.282728 0.550721 0.116330 F\n0.570841 0.570841 0.176894 F\n0.429159 0.429159 0.823106 F\n0.518009 0.043807 0.299720 F\n0.481991 0.956193 0.700280 F\n0.956193 0.481991 0.700280 F\n0.043807 0.518009 0.299720 F\n","nsites":48,"nelements":3,"elements":["Ba","Fe","F"],"chemical_system":"Ba-F-Fe","density":4.287894301753407,"density_atomic":0.06203091496744908,"volume":773.8077058058575,"volume_molar":9.708289428199048,"formula_full":"Ba7 Fe7 F34","formula_reduced":"Ba7Fe7F34","formula_anonymous":"A7B7C34","energy":-298.4582416,"energy_per_atom":-6.2178800333333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.9582416,"band_gap":1.9244,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":34.0032902,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.182000Z","spacegroup":12},{"id":"mp-1236147","created_at":"2022-09-04T14:43:38.670705Z","structure_string":"K2 Li1 S2 O4 F2\n1.0\n4.776574 0.000000 -1.572143\n0.000000 5.566503 0.000000\n0.050183 0.000000 8.100822\nK Li S O F\n2 1 2 4 2\ndirect\n0.224698 0.250000 0.336817 K\n0.811580 0.750000 0.742380 K\n0.615930 0.250000 0.076252 Li\n0.267664 0.250000 0.762020 S\n0.695320 0.750000 0.156742 S\n0.321744 0.477372 0.672226 O\n0.625196 0.971053 0.238105 O\n0.625196 0.528947 0.238105 O\n0.321744 0.022628 0.672226 O\n0.054272 0.750000 0.248384 F\n0.922767 0.250000 0.014150 F\n","nsites":11,"nelements":5,"elements":["K","Li","S","O","F"],"chemical_system":"F-K-Li-O-S","density":1.933139867775645,"density_atomic":0.05096594037302651,"volume":215.8304137918291,"volume_molar":11.816010292213093,"formula_full":"K2 Li1 S2 O4 F2","formula_reduced":"K2LiS2(O2F)2","formula_anonymous":"AB2C2D2E4","energy":-58.83323203,"energy_per_atom":-5.348475639090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.16123203,"band_gap":0.8435,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9988207,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.379000Z","spacegroup":6}]}