{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12169","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=12167","results":[{"id":"mp-1247285","created_at":"2022-09-04T14:47:57.793775Z","structure_string":"Zn16 Ge4 N16\n1.0\n5.300694 0.000000 0.000000\n0.000000 11.089112 0.000000\n0.000000 0.000000 8.046289\nZn Ge N\n16 4 16\ndirect\n0.212428 0.365425 0.626892 Zn\n0.287572 0.634575 0.626892 Zn\n0.212428 0.134575 0.873108 Zn\n0.287572 0.865425 0.873108 Zn\n0.787572 0.634575 0.373108 Zn\n0.712428 0.365425 0.373108 Zn\n0.787572 0.865425 0.126892 Zn\n0.712428 0.134575 0.126892 Zn\n0.750000 0.500000 0.053487 Zn\n0.750000 0.000000 0.446513 Zn\n0.250000 0.500000 0.946513 Zn\n0.250000 0.000000 0.553487 Zn\n0.757425 0.250000 0.750000 Zn\n0.742575 0.750000 0.750000 Zn\n0.242575 0.750000 0.250000 Zn\n0.257425 0.250000 0.250000 Zn\n0.750000 0.500000 0.705796 Ge\n0.750000 0.000000 0.794204 Ge\n0.250000 0.500000 0.294204 Ge\n0.250000 0.000000 0.205796 Ge\n0.580420 0.370866 0.603793 N\n0.919580 0.629134 0.603793 N\n0.580420 0.129134 0.896207 N\n0.919580 0.870866 0.896207 N\n0.419580 0.629134 0.396207 N\n0.080420 0.370866 0.396207 N\n0.419580 0.870866 0.103793 N\n0.080420 0.129134 0.103793 N\n0.982445 0.094910 0.668149 N\n0.517555 0.905090 0.668149 N\n0.982445 0.405090 0.831851 N\n0.517555 0.594910 0.831851 N\n0.017555 0.905090 0.331851 N\n0.482445 0.094910 0.331851 N\n0.017555 0.594910 0.168149 N\n0.482445 0.405090 0.168149 N\n","nsites":36,"nelements":3,"elements":["Zn","Ge","N"],"chemical_system":"Ge-N-Zn","density":5.481325904472002,"density_atomic":0.07611624754835175,"volume":472.9607824811847,"volume_molar":7.911767794615101,"formula_full":"Zn16 Ge4 N16","formula_reduced":"Zn4GeN4","formula_anonymous":"AB4C4","energy":-173.31040649,"energy_per_atom":-4.814177958055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.53440649000004,"band_gap":0.1545999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005433,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.373000Z","spacegroup":52},{"id":"mp-999355","created_at":"2022-09-04T14:47:57.804972Z","structure_string":"Nb2 N2\n1.0\n1.600289 -2.771781 0.000000\n1.600289 2.771781 0.000000\n0.000000 0.000000 6.065704\nNb N\n2 2\ndirect\n0.333333 0.666667 0.486399 Nb\n0.666667 0.333333 0.986399 Nb\n0.333333 0.666667 0.157601 N\n0.666667 0.333333 0.657601 N\n","nsites":4,"nelements":2,"elements":["Nb","N"],"chemical_system":"N-Nb","density":6.598441819071261,"density_atomic":0.07433467531727597,"volume":53.81068771642792,"volume_molar":8.101388395518297,"formula_full":"Nb2 N2","formula_reduced":"NbN","formula_anonymous":"AB","energy":-40.33583315,"energy_per_atom":-10.0839582875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.61383315,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005024,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.406000Z","spacegroup":186},{"id":"mp-630923","created_at":"2022-09-04T14:47:57.807587Z","structure_string":"Ba6 Pb10\n1.0\n4.623866 -5.687105 0.000000\n4.623866 5.687105 0.000000\n0.000000 0.000000 11.603856\nBa Pb\n6 10\ndirect\n0.864333 0.864333 0.750000 Ba\n0.293343 0.706657 0.500000 Ba\n0.706657 0.293343 0.500000 Ba\n0.706657 0.293343 0.000000 Ba\n0.135667 0.135667 0.250000 Ba\n0.293343 0.706657 0.000000 Ba\n0.013883 0.415745 0.750000 Pb\n0.584255 0.986117 0.250000 Pb\n0.195528 0.195528 0.554230 Pb\n0.195528 0.195528 0.945770 Pb\n0.537853 0.537853 0.250000 Pb\n0.804472 0.804472 0.445770 Pb\n0.462147 0.462147 0.750000 Pb\n0.986117 0.584255 0.250000 Pb\n0.415745 0.013883 0.750000 Pb\n0.804472 0.804472 0.054230 Pb\n","nsites":16,"nelements":2,"elements":["Ba","Pb"],"chemical_system":"Ba-Pb","density":7.879762786534597,"density_atomic":0.026217493556791104,"volume":610.2795435170624,"volume_molar":22.969933212551844,"formula_full":"Ba6 Pb10","formula_reduced":"Ba3Pb5","formula_anonymous":"A3B5","energy":-56.7385793,"energy_per_atom":-3.54616120625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.7385793,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0054664,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.304000Z","spacegroup":63},{"id":"mp-19977","created_at":"2022-09-04T14:47:58.865480Z","structure_string":"Sm1 In3\n1.0\n4.680903 0.000000 0.000000\n0.000000 4.680903 0.000000\n0.000000 0.000000 4.680903\nSm In\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n","nsites":4,"nelements":2,"elements":["Sm","In"],"chemical_system":"In-Sm","density":8.011284440470048,"density_atomic":0.039000580085107484,"volume":102.56257705067866,"volume_molar":15.441156892688314,"formula_full":"Sm1 In3","formula_reduced":"SmIn3","formula_anonymous":"AB3","energy":-14.77541352,"energy_per_atom":-3.69385338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.77541352,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006397,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.326000Z","spacegroup":221},{"id":"mp-770399","created_at":"2022-09-04T14:47:57.773271Z","structure_string":"Li12 Ti4 O14\n1.0\n10.088784 0.000000 0.000000\n0.000000 10.088784 0.000000\n0.000000 0.000000 2.963241\nLi Ti O\n12 4 14\ndirect\n0.300160 0.107907 0.031752 Li\n0.085076 0.085076 0.535251 Li\n0.607907 0.199840 0.531752 Li\n0.107907 0.300160 0.031752 Li\n0.585076 0.414924 0.035251 Li\n0.800160 0.392093 0.531752 Li\n0.199840 0.607907 0.531752 Li\n0.414924 0.585076 0.035251 Li\n0.892093 0.699840 0.031752 Li\n0.392093 0.800160 0.531752 Li\n0.914924 0.914924 0.535251 Li\n0.699840 0.892093 0.031752 Li\n0.847102 0.152898 0.048147 Ti\n0.347102 0.347102 0.548147 Ti\n0.652898 0.652898 0.548147 Ti\n0.152898 0.847102 0.048147 Ti\n0.000000 0.000000 0.035221 O\n0.755478 0.053187 0.530117 O\n0.446813 0.255478 0.030117 O\n0.218311 0.218311 0.531779 O\n0.718311 0.281689 0.031779 O\n0.946813 0.244522 0.530117 O\n0.255478 0.446813 0.030117 O\n0.500000 0.500000 0.535221 O\n0.744522 0.553187 0.030117 O\n0.053187 0.755478 0.530117 O\n0.281689 0.718311 0.031779 O\n0.781689 0.781689 0.531779 O\n0.553187 0.744522 0.030117 O\n0.244522 0.946813 0.530117 O\n","nsites":30,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":2.7459256728038732,"density_atomic":0.0994664533838322,"volume":301.609225818404,"volume_molar":6.054444041310185,"formula_full":"Li12 Ti4 O14","formula_reduced":"Li6Ti2O7","formula_anonymous":"A2B6C7","energy":-205.90609647,"energy_per_atom":-6.863536549,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.28809647,"band_gap":2.4848,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004567,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.511000Z","spacegroup":102},{"id":"mp-1203115","created_at":"2022-09-04T14:47:57.835005Z","structure_string":"U2 H28 Cl6 O14\n1.0\n7.637938 -0.017899 2.313728\n0.402704 7.791030 2.822053\n-0.026100 0.028935 9.370479\nU H Cl O\n2 28 6 14\ndirect\n0.784472 0.820809 0.171871 U\n0.215528 0.179191 0.828129 U\n0.998352 0.850995 0.410477 H\n0.001648 0.149005 0.589523 H\n0.869725 0.017676 0.377782 H\n0.130275 0.982324 0.622218 H\n0.085661 0.540828 0.267293 H\n0.914339 0.459172 0.732707 H\n0.910866 0.473445 0.391144 H\n0.089134 0.526555 0.608856 H\n0.733081 0.825186 0.845519 H\n0.266919 0.174814 0.154481 H\n0.874436 0.960774 0.808464 H\n0.125564 0.039226 0.191536 H\n0.390109 0.869975 0.154178 H\n0.609891 0.130025 0.845822 H\n0.433721 0.675407 0.157470 H\n0.566279 0.324593 0.842530 H\n0.520440 0.132353 0.254175 H\n0.479560 0.867647 0.745825 H\n0.445701 0.956504 0.376584 H\n0.554299 0.043496 0.623416 H\n0.646919 0.644766 0.543887 H\n0.353081 0.355234 0.456113 H\n0.487554 0.667030 0.470597 H\n0.512446 0.332970 0.529403 H\n0.809032 0.433606 0.175692 H\n0.190968 0.566394 0.824308 H\n0.734100 0.534542 0.028918 H\n0.265900 0.465458 0.971082 H\n0.855758 0.179139 0.013572 Cl\n0.144242 0.820861 0.986428 Cl\n0.213100 0.780857 0.531931 Cl\n0.786900 0.219143 0.468069 Cl\n0.662701 0.617218 0.784547 Cl\n0.337299 0.382782 0.215453 Cl\n0.931633 0.924037 0.334937 O\n0.068367 0.075963 0.665063 O\n0.969370 0.579861 0.320988 O\n0.030630 0.420139 0.679012 O\n0.761353 0.915564 0.880989 O\n0.238647 0.084436 0.119011 O\n0.481684 0.775994 0.160584 O\n0.518316 0.224006 0.839416 O\n0.551091 0.009273 0.297568 O\n0.448909 0.990727 0.702432 O\n0.616762 0.653653 0.446004 O\n0.383238 0.346347 0.553996 O\n0.781417 0.548887 0.109703 O\n0.218583 0.451113 0.890297 O\n","nsites":50,"nelements":4,"elements":["U","H","Cl","O"],"chemical_system":"Cl-H-O-U","density":2.802501657709101,"density_atomic":0.08967717049013678,"volume":557.5555041123794,"volume_molar":6.715355454555015,"formula_full":"U2 H28 Cl6 O14","formula_reduced":"UH14Cl3O7","formula_anonymous":"AB3C7D14","energy":-268.44460791,"energy_per_atom":-5.3688921582,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.14260791,"band_gap":0.5669,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000395,"is_theoretical":false,"updated_at":"2021-11-28T01:38:15.984000Z","spacegroup":2},{"id":"mp-1204898","created_at":"2022-09-04T14:47:57.906707Z","structure_string":"B10 N2 O24\n1.0\n9.572865 0.000000 0.000000\n0.000000 7.470310 0.000000\n0.000000 6.220978 7.816384\nB N O\n10 2 24\ndirect\n0.253606 0.816503 0.579709 B\n0.746394 0.816503 0.079709 B\n0.494646 0.892873 0.478544 B\n0.505354 0.892873 0.978544 B\n0.462748 0.624365 0.765873 B\n0.537252 0.624365 0.265873 B\n0.035255 0.982104 0.572725 B\n0.964745 0.982104 0.072725 B\n0.027543 0.704180 0.533982 B\n0.972457 0.704180 0.033982 B\n0.722746 0.023025 0.339118 N\n0.277254 0.023025 0.839118 N\n0.362735 0.946965 0.438299 O\n0.637265 0.946965 0.938299 O\n0.557952 0.735073 0.630941 O\n0.442048 0.735073 0.130941 O\n0.326145 0.660859 0.748383 O\n0.673855 0.660859 0.248383 O\n0.174175 0.987828 0.577764 O\n0.825825 0.987828 0.077764 O\n0.954424 0.848118 0.556723 O\n0.045576 0.848118 0.056723 O\n0.169180 0.684406 0.550030 O\n0.830820 0.684406 0.050030 O\n0.595143 0.042144 0.326574 O\n0.404857 0.042144 0.826574 O\n0.514257 0.463789 0.938992 O\n0.485743 0.463789 0.438992 O\n0.961849 0.148035 0.583861 O\n0.038151 0.148035 0.083861 O\n0.950553 0.594661 0.490515 O\n0.049447 0.594661 0.990515 O\n0.827073 0.168603 0.555595 O\n0.172927 0.168603 0.055595 O\n0.653831 0.439969 0.952372 O\n0.346169 0.439969 0.452372 O\n","nsites":36,"nelements":3,"elements":["B","N","O"],"chemical_system":"B-N-O","density":1.5451015227698808,"density_atomic":0.0644044765665928,"volume":558.9673562951295,"volume_molar":9.350500277373172,"formula_full":"B10 N2 O24","formula_reduced":"B5NO12","formula_anonymous":"AB5C12","energy":-250.38591114,"energy_per_atom":-6.955164198333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.52191114,"band_gap":0.1292999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.5271072,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.314000Z","spacegroup":7},{"id":"mp-1097429","created_at":"2022-09-04T14:47:58.075799Z","structure_string":"Ca1 Sn1 Pd2\n1.0\n-5.011081 5.981352 8.462310\n5.011081 -5.981352 8.462310\n5.011081 5.981352 -8.462310\nCa Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.247980 0.247980 Pd\n0.000000 0.752020 0.752020 Pd\n","nsites":4,"nelements":3,"elements":["Ca","Sn","Pd"],"chemical_system":"Ca-Pd-Sn","density":0.6082439802180609,"density_atomic":0.003942577918307176,"volume":1014.5646028772665,"volume_molar":152.74627121600997,"formula_full":"Ca1 Sn1 Pd2","formula_reduced":"CaSnPd2","formula_anonymous":"ABC2","energy":-11.51053856,"energy_per_atom":-2.87763464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.51053856,"band_gap":0.1556000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001612,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.783000Z","spacegroup":71},{"id":"mp-778204","created_at":"2022-09-04T14:47:58.097471Z","structure_string":"Li2 V6 P6 H4 O24\n1.0\n6.235824 6.025812 0.000000\n-6.235824 6.025812 0.000000\n0.000000 2.858247 6.043229\nLi V P H O\n2 6 6 4 24\ndirect\n0.488893 0.511107 0.750000 Li\n0.511107 0.488893 0.250000 Li\n0.867898 0.542551 0.882952 V\n0.542551 0.867898 0.382952 V\n0.787079 0.212921 0.750000 V\n0.212921 0.787079 0.250000 V\n0.457449 0.132102 0.617048 V\n0.132102 0.457449 0.117048 V\n0.600003 0.820248 0.895931 P\n0.820248 0.600003 0.395931 P\n0.176286 0.823714 0.750000 P\n0.823714 0.176286 0.250000 P\n0.179752 0.399997 0.604069 P\n0.399997 0.179752 0.104069 P\n0.874835 0.878214 0.812557 H\n0.878214 0.874835 0.312557 H\n0.121786 0.125165 0.687443 H\n0.125165 0.121786 0.187443 H\n0.995118 0.789446 0.765272 O\n0.763268 0.934638 0.852760 O\n0.789446 0.995118 0.265272 O\n0.934638 0.763268 0.352760 O\n0.537077 0.889723 0.699977 O\n0.635099 0.642612 0.924006 O\n0.824424 0.477459 0.615785 O\n0.889723 0.537077 0.199977 O\n0.642612 0.635099 0.424006 O\n0.477459 0.824424 0.115785 O\n0.212331 0.717303 0.959146 O\n0.282697 0.787669 0.540854 O\n0.717303 0.212331 0.459146 O\n0.787669 0.282697 0.040854 O\n0.522541 0.175576 0.884215 O\n0.357388 0.364901 0.575994 O\n0.110277 0.462923 0.800023 O\n0.175576 0.522541 0.384215 O\n0.364901 0.357388 0.075994 O\n0.462923 0.110277 0.300023 O\n0.065362 0.236732 0.647240 O\n0.210554 0.004882 0.734728 O\n0.236732 0.065362 0.147240 O\n0.004882 0.210554 0.234728 O\n","nsites":42,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":3.2664962441249408,"density_atomic":0.09247850834454711,"volume":454.1595744983324,"volume_molar":6.511935440787296,"formula_full":"Li2 V6 P6 H4 O24","formula_reduced":"LiV3P3(HO6)2","formula_anonymous":"AB2C3D3E12","energy":-324.81719825,"energy_per_atom":-7.73374281547619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.12919825,"band_gap":2.2196,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9983654,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.511000Z","spacegroup":15},{"id":"mp-1046811","created_at":"2022-09-04T14:47:58.109493Z","structure_string":"Sr4 Y2 Al2 W4 O14\n1.0\n-2.813858 2.908832 11.542038\n2.813858 -2.908832 11.542038\n2.813858 2.908832 -11.542038\nSr Y Al W O\n4 2 2 4 14\ndirect\n0.806932 0.840226 0.969668 Sr\n0.193068 0.162737 0.033295 Sr\n0.629442 0.662737 0.969668 Sr\n0.370558 0.340226 0.033295 Sr\n0.500000 0.478682 0.978682 Y\n0.000000 0.978682 0.978682 Y\n0.173448 0.757513 0.430961 Al\n0.826552 0.257513 0.584065 Al\n0.945939 0.423601 0.479687 W\n0.054061 0.533748 0.477663 W\n0.556085 0.033748 0.479687 W\n0.443915 0.923601 0.477663 W\n0.918224 0.567990 0.986214 O\n0.081776 0.067990 0.649766 O\n0.731014 0.711439 0.590327 O\n0.268986 0.859313 0.980425 O\n0.378888 0.359313 0.590327 O\n0.621112 0.211439 0.980425 O\n0.118761 0.094712 0.363194 O\n0.881239 0.244433 0.975951 O\n0.768482 0.744433 0.363194 O\n0.231518 0.594712 0.975951 O\n0.377846 0.769485 0.513967 O\n0.622154 0.136121 0.391639 O\n0.244482 0.636121 0.513967 O\n0.755518 0.269485 0.391639 O\n","nsites":26,"nelements":5,"elements":["Sr","Y","Al","W","O"],"chemical_system":"Al-O-Sr-W-Y","density":6.774219865892273,"density_atomic":0.0688034222558436,"volume":377.8881797960533,"volume_molar":8.752676193353928,"formula_full":"Sr4 Y2 Al2 W4 O14","formula_reduced":"Sr2YAlW2O7","formula_anonymous":"ABC2D2E7","energy":-213.53559835000004,"energy_per_atom":-8.212907628846155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.16559835,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9994254,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.834000Z","spacegroup":46},{"id":"mp-732177","created_at":"2022-09-04T14:47:57.786101Z","structure_string":"Y6 Cl4 O12\n1.0\n3.943820 0.000000 0.000000\n0.000000 7.536359 0.000000\n0.000000 0.000000 13.778374\nY Cl O\n6 4 12\ndirect\n0.500000 0.083817 0.353405 Y\n0.500000 0.083817 0.646595 Y\n0.000000 0.916183 0.146595 Y\n0.000000 0.916183 0.853405 Y\n0.000000 0.405328 0.500000 Y\n0.500000 0.594672 0.000000 Y\n0.500000 0.578213 0.382543 Cl\n0.500000 0.578213 0.617457 Cl\n0.000000 0.421787 0.117457 Cl\n0.000000 0.421787 0.882543 Cl\n0.500000 0.937477 0.500000 O\n0.000000 0.062523 0.000000 O\n0.000000 0.944871 0.319274 O\n0.000000 0.944871 0.680726 O\n0.500000 0.055129 0.180726 O\n0.500000 0.055129 0.819274 O\n0.000000 0.244930 0.355797 O\n0.000000 0.244930 0.644203 O\n0.500000 0.755070 0.144203 O\n0.500000 0.755070 0.855797 O\n0.500000 0.233344 0.500000 O\n0.000000 0.766656 0.000000 O\n","nsites":22,"nelements":3,"elements":["Y","Cl","O"],"chemical_system":"Cl-O-Y","density":3.5165088586129327,"density_atomic":0.05372124246460418,"volume":409.52142933952706,"volume_molar":11.209980416904662,"formula_full":"Y6 Cl4 O12","formula_reduced":"Y3(ClO3)2","formula_anonymous":"A2B3C6","energy":-158.86773981,"energy_per_atom":-7.221260900454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.16773981,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9931438,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.012000Z","spacegroup":59},{"id":"mp-1194579","created_at":"2022-09-04T14:47:57.792335Z","structure_string":"Dy12 Se6 O6 F12\n1.0\n6.715521 -11.631624 0.000000\n6.715521 11.631624 0.000000\n0.000000 0.000000 3.742139\nDy Se O F\n12 6 6 12\ndirect\n0.397914 0.883496 0.750000 Dy\n0.485582 0.602086 0.750000 Dy\n0.116504 0.514418 0.750000 Dy\n0.602086 0.116504 0.250000 Dy\n0.514418 0.397914 0.250000 Dy\n0.883496 0.485582 0.250000 Dy\n0.055193 0.766159 0.750000 Dy\n0.710965 0.944807 0.750000 Dy\n0.233841 0.289035 0.750000 Dy\n0.944807 0.233841 0.250000 Dy\n0.289035 0.055193 0.250000 Dy\n0.766159 0.710965 0.250000 Dy\n0.719052 0.512649 0.750000 Se\n0.793597 0.280948 0.750000 Se\n0.487351 0.206403 0.750000 Se\n0.280948 0.487351 0.250000 Se\n0.206403 0.719052 0.250000 Se\n0.512649 0.793597 0.250000 Se\n0.985752 0.573371 0.750000 O\n0.587619 0.014248 0.750000 O\n0.426629 0.412381 0.750000 O\n0.014248 0.426629 0.250000 O\n0.412381 0.985752 0.250000 O\n0.573371 0.587619 0.250000 O\n0.894011 0.792795 0.750000 F\n0.898784 0.105989 0.750000 F\n0.207205 0.101216 0.750000 F\n0.105989 0.207205 0.250000 F\n0.101216 0.894011 0.250000 F\n0.792795 0.898784 0.250000 F\n0.247522 0.933332 0.750000 F\n0.685810 0.752478 0.750000 F\n0.066668 0.314190 0.750000 F\n0.752478 0.066668 0.250000 F\n0.314190 0.247522 0.250000 F\n0.933332 0.685810 0.250000 F\n","nsites":36,"nelements":4,"elements":["Dy","Se","O","F"],"chemical_system":"Dy-F-O-Se","density":7.804665956430993,"density_atomic":0.06157898462840869,"volume":584.6150308784379,"volume_molar":9.779538906560278,"formula_full":"Dy12 Se6 O6 F12","formula_reduced":"Dy2SeOF2","formula_anonymous":"ABC2D2","energy":-263.57412142,"energy_per_atom":-7.321503372777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-251.07612142,"band_gap":2.8706,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.65e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.359000Z","spacegroup":176}]}