{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=89","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=87","results":[{"id":"mp-30362","created_at":"2022-09-04T14:41:48.114255Z","structure_string":"Zr3 Ag1\n1.0\n4.416495 0.000000 0.000000\n0.000000 4.416495 0.000000\n0.000000 0.000000 4.416495\nZr Ag\n3 1\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":2,"elements":["Zr","Ag"],"chemical_system":"Ag-Zr","density":7.354551123047299,"density_atomic":0.04643300192735931,"volume":86.1456256103725,"volume_molar":12.969527082098104,"formula_full":"Zr3 Ag1","formula_reduced":"Zr3Ag","formula_anonymous":"AB3","energy":-28.38340923,"energy_per_atom":-7.0958523075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.38340923,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008755,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.254000Z","spacegroup":221},{"id":"mp-1222176","created_at":"2022-09-04T14:41:48.171738Z","structure_string":"Mn4 Ni1 Se5\n1.0\n-1.759512 2.358223 10.243607\n1.759512 -2.358223 10.243607\n1.759512 2.358223 -10.243607\nMn Ni Se\n4 1 5\ndirect\n0.620894 0.620894 0.000000 Mn\n0.169274 0.169274 0.000000 Mn\n0.830726 0.830726 0.000000 Mn\n0.379106 0.379106 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.916952 0.416952 0.500000 Se\n0.699552 0.199552 0.500000 Se\n0.300448 0.800448 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.083048 0.583048 0.500000 Se\n","nsites":10,"nelements":3,"elements":["Mn","Ni","Se"],"chemical_system":"Mn-Ni-Se","density":6.575557879634945,"density_atomic":0.058817965266661415,"volume":170.01608190054299,"volume_molar":10.238607766687583,"formula_full":"Mn4 Ni1 Se5","formula_reduced":"Mn4NiSe5","formula_anonymous":"AB4C5","energy":-63.21996706,"energy_per_atom":-6.321996706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.85996706,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.198957,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.193000Z","spacegroup":71},{"id":"mp-554278","created_at":"2022-09-04T14:41:48.732740Z","structure_string":"Ti4 O8\n1.0\n1.883468 6.153577 0.000000\n-1.883468 6.153577 0.000000\n0.000000 1.928326 6.328967\nTi O\n4 8\ndirect\n0.195286 0.195286 0.716238 Ti\n0.900071 0.900071 0.710398 Ti\n0.804714 0.804714 0.283762 Ti\n0.099929 0.099929 0.289602 Ti\n0.941648 0.941648 0.369979 O\n0.361932 0.361932 0.706603 O\n0.867189 0.867189 0.004709 O\n0.058352 0.058352 0.630021 O\n0.263489 0.263489 0.347500 O\n0.132811 0.132811 0.995291 O\n0.736511 0.736511 0.652500 O\n0.638068 0.638068 0.293397 O\n","nsites":12,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.615940061293442,"density_atomic":0.08179608807408435,"volume":146.7062824463116,"volume_molar":7.3623823605667145,"formula_full":"Ti4 O8","formula_reduced":"TiO2","formula_anonymous":"AB2","energy":-113.18520817,"energy_per_atom":-9.432100680833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-107.68920817,"band_gap":2.6774000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001241,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.515000Z","spacegroup":12},{"id":"mp-1223729","created_at":"2022-09-04T14:41:48.024417Z","structure_string":"La10 Ti8 Ga2 O34\n1.0\n3.953924 0.000000 0.000000\n0.000000 5.554993 0.000000\n0.000000 0.000000 31.432200\nLa Ti Ga O\n10 8 2 34\ndirect\n0.000000 0.570282 0.286524 La\n0.000000 0.429718 0.713476 La\n0.500000 0.070282 0.213476 La\n0.500000 0.929718 0.786524 La\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 La\n0.000000 0.994537 0.411099 La\n0.000000 0.005463 0.588901 La\n0.500000 0.494537 0.088901 La\n0.500000 0.505463 0.911099 La\n0.500000 0.034069 0.322713 Ti\n0.500000 0.965931 0.677287 Ti\n0.000000 0.534069 0.177287 Ti\n0.000000 0.465931 0.822713 Ti\n0.500000 0.504527 0.408377 Ti\n0.500000 0.495473 0.591623 Ti\n0.000000 0.004527 0.091623 Ti\n0.000000 0.995473 0.908377 Ti\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.297334 0.287334 O\n0.500000 0.702666 0.712666 O\n0.000000 0.797334 0.212666 O\n0.000000 0.202666 0.787334 O\n0.500000 0.710375 0.536413 O\n0.500000 0.289625 0.463587 O\n0.000000 0.210375 0.963587 O\n0.000000 0.789625 0.036413 O\n0.000000 0.494694 0.415649 O\n0.000000 0.505306 0.584351 O\n0.500000 0.994694 0.084351 O\n0.500000 0.005306 0.915649 O\n0.000000 0.003715 0.328986 O\n0.000000 0.996285 0.671014 O\n0.500000 0.503715 0.171014 O\n0.500000 0.496285 0.828986 O\n0.500000 0.196169 0.379109 O\n0.500000 0.803831 0.620891 O\n0.000000 0.696169 0.120891 O\n0.000000 0.303831 0.879109 O\n0.500000 0.782136 0.448845 O\n0.500000 0.217864 0.551155 O\n0.000000 0.282136 0.051155 O\n0.000000 0.717864 0.948845 O\n0.500000 0.812516 0.276317 O\n0.500000 0.187484 0.723683 O\n0.000000 0.312516 0.223683 O\n0.000000 0.687484 0.776317 O\n0.500000 0.715500 0.363482 O\n0.500000 0.284500 0.636518 O\n0.000000 0.215500 0.136518 O\n0.000000 0.784500 0.863482 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":54,"nelements":4,"elements":["La","Ti","Ga","O"],"chemical_system":"Ga-La-O-Ti","density":5.9059208113222965,"density_atomic":0.07821807929662722,"volume":690.3774739240944,"volume_molar":7.699167269452085,"formula_full":"La10 Ti8 Ga2 O34","formula_reduced":"La5Ti4GaO17","formula_anonymous":"AB4C5D17","energy":-483.23396179,"energy_per_atom":-8.948777070185185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-459.87596179,"band_gap":2.4092,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0280678,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.580000Z","spacegroup":58},{"id":"mp-1213265","created_at":"2022-09-04T14:41:48.025568Z","structure_string":"Na6 Mg6 B6 P12 O66\n1.0\n4.993188 -8.648455 0.000000\n4.993188 8.648455 0.000000\n0.000000 0.000000 14.926089\nNa Mg B P O\n6 6 6 12 66\ndirect\n0.256698 0.513397 0.250000 Na\n0.486603 0.743302 0.583333 Na\n0.743302 0.486603 0.750000 Na\n0.513397 0.256698 0.083333 Na\n0.256698 0.743302 0.916667 Na\n0.743302 0.256698 0.416667 Na\n0.510823 0.021646 0.250000 Mg\n0.978354 0.489177 0.583333 Mg\n0.489177 0.978354 0.750000 Mg\n0.021646 0.510823 0.083333 Mg\n0.510823 0.489177 0.916667 Mg\n0.489177 0.510823 0.416667 Mg\n0.840536 0.681072 0.250000 B\n0.318928 0.159464 0.583333 B\n0.159464 0.318928 0.750000 B\n0.681072 0.840536 0.083333 B\n0.840536 0.159464 0.916667 B\n0.159464 0.840536 0.416667 B\n0.381301 0.153187 0.405155 P\n0.846813 0.228115 0.738488 P\n0.618699 0.846813 0.905155 P\n0.153187 0.381301 0.928178 P\n0.771885 0.618699 0.071822 P\n0.153187 0.771885 0.238488 P\n0.228115 0.846813 0.594845 P\n0.846813 0.618699 0.428178 P\n0.228115 0.381301 0.571822 P\n0.771885 0.153187 0.094845 P\n0.618699 0.771885 0.261512 P\n0.381301 0.228115 0.761512 P\n0.628316 0.135907 0.143065 O\n0.864093 0.492409 0.476398 O\n0.371684 0.864093 0.643065 O\n0.135907 0.628316 0.190269 O\n0.507591 0.371684 0.809731 O\n0.135907 0.507591 0.976398 O\n0.492409 0.864093 0.856935 O\n0.864093 0.371684 0.690269 O\n0.492409 0.628316 0.309731 O\n0.507591 0.135907 0.356935 O\n0.371684 0.507591 0.523602 O\n0.628316 0.492409 0.023602 O\n0.219334 0.005448 0.393058 O\n0.994552 0.213886 0.726391 O\n0.780666 0.994552 0.893058 O\n0.005448 0.219334 0.940275 O\n0.786114 0.780666 0.059725 O\n0.005448 0.786114 0.226391 O\n0.213886 0.994552 0.606942 O\n0.994552 0.780666 0.440275 O\n0.213886 0.219334 0.559725 O\n0.786114 0.005448 0.106942 O\n0.780666 0.786114 0.273609 O\n0.219334 0.213886 0.773609 O\n0.424317 0.176255 0.508334 O\n0.823745 0.248062 0.841667 O\n0.575683 0.823745 0.008334 O\n0.176255 0.424317 0.825000 O\n0.751938 0.575683 0.175000 O\n0.176255 0.751938 0.341667 O\n0.248062 0.823745 0.491666 O\n0.823745 0.575683 0.325000 O\n0.248062 0.424317 0.675000 O\n0.751938 0.176255 0.991666 O\n0.575683 0.751938 0.158333 O\n0.424317 0.248062 0.658333 O\n0.377837 0.296703 0.373121 O\n0.703297 0.081134 0.706454 O\n0.622163 0.703297 0.873121 O\n0.296703 0.377837 0.960213 O\n0.918866 0.622163 0.039787 O\n0.296703 0.918866 0.206454 O\n0.081134 0.703297 0.626879 O\n0.703297 0.622163 0.460213 O\n0.081134 0.377837 0.539787 O\n0.918866 0.296703 0.126879 O\n0.622163 0.918866 0.293546 O\n0.377837 0.081134 0.793546 O\n0.216697 0.000000 0.000000 O\n0.000000 0.216697 0.333333 O\n0.783303 0.000000 0.500000 O\n0.783303 0.783303 0.666667 O\n0.000000 0.783303 0.833333 O\n0.216697 0.216697 0.166667 O\n0.230980 0.340477 0.128632 O\n0.659523 0.890503 0.461965 O\n0.769020 0.659523 0.628632 O\n0.340477 0.230980 0.204701 O\n0.109497 0.769020 0.795299 O\n0.340477 0.109497 0.961965 O\n0.890503 0.659523 0.871368 O\n0.659523 0.769020 0.704701 O\n0.890503 0.230980 0.295299 O\n0.109497 0.340477 0.371368 O\n0.769020 0.109497 0.538035 O\n0.230980 0.890503 0.038035 O\n","nsites":96,"nelements":5,"elements":["Na","Mg","B","P","O"],"chemical_system":"B-Mg-Na-O-P","density":2.2880635979737987,"density_atomic":0.07446955563356263,"volume":1289.117400839355,"volume_molar":8.086715045854103,"formula_full":"Na6 Mg6 B6 P12 O66","formula_reduced":"NaMgBP2O11","formula_anonymous":"ABCD2E11","energy":-625.07538696,"energy_per_atom":-6.511201947499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-625.07538696,"band_gap":0.6935,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.782000Z","spacegroup":178},{"id":"mp-1102688","created_at":"2022-09-04T14:41:48.030303Z","structure_string":"Pr4 Sb4 Se4\n1.0\n18.492940 0.000000 0.000000\n0.000000 4.247853 0.000000\n0.000000 4.243310 4.267520\nPr Sb Se\n4 4 4\ndirect\n0.147466 0.475872 0.769169 Pr\n0.647466 0.524128 0.730831 Pr\n0.852534 0.524128 0.230831 Pr\n0.352534 0.475872 0.269169 Pr\n0.498344 0.975966 0.771953 Sb\n0.998344 0.024034 0.728047 Sb\n0.501656 0.024034 0.228047 Sb\n0.001656 0.975966 0.271953 Sb\n0.313673 0.476327 0.766407 Se\n0.813673 0.523673 0.733593 Se\n0.686327 0.523673 0.233593 Se\n0.186327 0.476327 0.266407 Se\n","nsites":12,"nelements":3,"elements":["Pr","Sb","Se"],"chemical_system":"Pr-Sb-Se","density":6.768790886584738,"density_atomic":0.03579564901269425,"volume":335.2362739880601,"volume_molar":16.823666915116867,"formula_full":"Pr4 Sb4 Se4","formula_reduced":"PrSbSe","formula_anonymous":"ABC","energy":-68.88820741,"energy_per_atom":-5.740683950833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.23220741,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000864,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.768000Z","spacegroup":14},{"id":"mp-1190394","created_at":"2022-09-04T14:41:48.032511Z","structure_string":"Nd8 Fe2 S12 O2\n1.0\n4.687889 -8.119661 0.000000\n4.687889 8.119661 0.000000\n0.000000 0.000000 6.744550\nNd Fe S O\n8 2 12 2\ndirect\n0.802831 0.197169 0.328129 Nd\n0.394338 0.197169 0.328129 Nd\n0.802831 0.605662 0.328129 Nd\n0.197169 0.802831 0.828129 Nd\n0.605662 0.802831 0.828129 Nd\n0.197169 0.394338 0.828129 Nd\n0.333333 0.666667 0.303743 Nd\n0.666667 0.333333 0.803743 Nd\n0.000000 0.000000 0.497776 Fe\n0.000000 0.000000 0.997776 Fe\n0.122896 0.877104 0.230944 S\n0.754207 0.877104 0.230944 S\n0.122896 0.245793 0.230944 S\n0.877104 0.122896 0.730944 S\n0.245793 0.122896 0.730944 S\n0.877104 0.754207 0.730944 S\n0.531358 0.468642 0.052901 S\n0.937284 0.468642 0.052901 S\n0.531358 0.062716 0.052901 S\n0.468642 0.531358 0.552901 S\n0.062716 0.531358 0.552901 S\n0.468642 0.937284 0.552901 S\n0.333333 0.666667 0.954833 O\n0.666667 0.333333 0.454833 O\n","nsites":24,"nelements":4,"elements":["Nd","Fe","S","O"],"chemical_system":"Fe-Nd-O-S","density":5.4410335577640545,"density_atomic":0.04674261981572405,"volume":513.4500396985983,"volume_molar":12.883618384552278,"formula_full":"Nd8 Fe2 S12 O2","formula_reduced":"Nd4FeS6O","formula_anonymous":"ABC4D6","energy":-168.71625292,"energy_per_atom":-7.0298438716666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.79425292,"band_gap":2.2232000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.9989403,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.003000Z","spacegroup":186},{"id":"mp-1020624","created_at":"2022-09-04T14:41:48.037207Z","structure_string":"Na4 Be4 B12 O24\n1.0\n4.452338 0.000000 0.000000\n0.000000 9.241662 0.000000\n0.000000 0.000000 12.039624\nNa Be B O\n4 4 12 24\ndirect\n0.280049 0.175958 0.113234 Na\n0.780049 0.824042 0.886766 Na\n0.780049 0.324042 0.613234 Na\n0.280049 0.675958 0.386766 Na\n0.826524 0.408077 0.042025 Be\n0.326524 0.591923 0.957975 Be\n0.326524 0.091923 0.542025 Be\n0.826524 0.908077 0.457975 Be\n0.880867 0.430483 0.254402 B\n0.380867 0.569517 0.745598 B\n0.380867 0.069517 0.754402 B\n0.880867 0.930483 0.245598 B\n0.502763 0.083216 0.336238 B\n0.002763 0.916784 0.663762 B\n0.002763 0.416784 0.836238 B\n0.502763 0.583216 0.163762 B\n0.158779 0.277482 0.394780 B\n0.658779 0.722518 0.605220 B\n0.658779 0.222518 0.894780 B\n0.158779 0.777482 0.105220 B\n0.992777 0.382606 0.158233 O\n0.492777 0.617394 0.841767 O\n0.492777 0.117394 0.658233 O\n0.992777 0.882606 0.341767 O\n0.640457 0.029688 0.241206 O\n0.140457 0.970312 0.758794 O\n0.140457 0.470312 0.741206 O\n0.640457 0.529688 0.258794 O\n0.562286 0.036713 0.441224 O\n0.062286 0.963287 0.558776 O\n0.062286 0.463287 0.941224 O\n0.562286 0.536713 0.058776 O\n0.303697 0.195173 0.312328 O\n0.803697 0.804827 0.687672 O\n0.803697 0.304827 0.812328 O\n0.303697 0.695173 0.187672 O\n0.679409 0.256471 0.002595 O\n0.179409 0.743529 0.997405 O\n0.179409 0.243529 0.502595 O\n0.679409 0.756471 0.497405 O\n0.986191 0.895594 0.139198 O\n0.486191 0.104406 0.860802 O\n0.486191 0.604406 0.639198 O\n0.986191 0.395594 0.360802 O\n","nsites":44,"nelements":4,"elements":["Na","Be","B","O"],"chemical_system":"B-Be-Na-O","density":2.1510336233212146,"density_atomic":0.0888181136435212,"volume":495.39444371220964,"volume_molar":6.780306981265508,"formula_full":"Na4 Be4 B12 O24","formula_reduced":"NaBe(BO2)3","formula_anonymous":"ABC3D6","energy":-344.2444073,"energy_per_atom":-7.823736529545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-327.7564073,"band_gap":4.931,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007844,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.351000Z","spacegroup":33},{"id":"mp-568173","created_at":"2022-09-04T14:41:48.259643Z","structure_string":"La4 Mg4 Si8\n1.0\n-2.160569 2.160569 18.517631\n2.160569 -2.160569 18.517631\n2.160569 2.160569 -18.517631\nLa Mg Si\n4 4 8\ndirect\n0.173034 0.673034 0.500000 La\n0.423034 0.423034 0.000000 La\n0.326966 0.826966 0.500000 La\n0.576966 0.576966 0.000000 La\n0.999927 0.499927 0.500000 Mg\n0.500073 0.000073 0.500000 Mg\n0.249927 0.249927 0.000000 Mg\n0.750073 0.750073 0.000000 Mg\n0.639198 0.139198 0.500000 Si\n0.860802 0.360802 0.500000 Si\n0.797738 0.297738 0.500000 Si\n0.702262 0.202262 0.500000 Si\n0.110802 0.110802 0.000000 Si\n0.889198 0.889198 0.000000 Si\n0.952262 0.952262 0.000000 Si\n0.047738 0.047738 0.000000 Si\n","nsites":16,"nelements":3,"elements":["La","Mg","Si"],"chemical_system":"La-Mg-Si","density":4.214318290030036,"density_atomic":0.046274132375489864,"volume":345.765532029181,"volume_molar":13.014054398975102,"formula_full":"La4 Mg4 Si8","formula_reduced":"LaMgSi2","formula_anonymous":"ABC2","energy":-78.13083682,"energy_per_atom":-4.88317730125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.69883682,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.97e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.779000Z","spacegroup":141},{"id":"mp-1229285","created_at":"2022-09-04T14:41:48.056885Z","structure_string":"Al4 Fe2 Cu1 P4 H16 O26\n1.0\n7.612845 0.000000 0.000000\n-3.190250 7.000501 0.000000\n-3.427923 -2.017878 9.048285\nAl Fe Cu P H O\n4 2 1 4 16 26\ndirect\n0.057180 0.271860 0.255268 Al\n0.942820 0.728140 0.744732 Al\n0.551650 0.761250 0.723288 Al\n0.448350 0.238750 0.276712 Al\n0.261201 0.250973 0.750921 Fe\n0.738799 0.749027 0.249079 Fe\n0.000000 0.000000 0.000000 Cu\n0.673440 0.349051 0.054864 P\n0.326560 0.650949 0.945136 P\n0.140197 0.825860 0.561624 P\n0.859803 0.174140 0.438376 P\n0.262280 0.635295 0.421096 H\n0.737720 0.364705 0.578904 H\n0.270698 0.149470 0.459668 H\n0.729302 0.850530 0.540332 H\n0.734609 0.980112 0.082917 H\n0.265391 0.019888 0.917083 H\n0.334711 0.435395 0.562437 H\n0.665289 0.564605 0.437563 H\n0.616302 0.426030 0.666117 H\n0.383698 0.573970 0.333883 H\n0.199984 0.871284 0.270484 H\n0.800016 0.128716 0.729516 H\n0.769524 0.659041 0.944350 H\n0.230476 0.340959 0.055650 H\n0.657324 0.137743 0.816653 H\n0.342676 0.862257 0.183347 H\n0.799685 0.743063 0.872225 O\n0.200315 0.256937 0.127775 O\n0.321087 0.763848 0.574571 O\n0.678913 0.236152 0.425429 O\n0.015924 0.775577 0.387001 O\n0.984076 0.224423 0.612999 O\n0.555659 0.269168 0.884734 O\n0.444341 0.730832 0.115266 O\n0.417641 0.476964 0.669545 O\n0.582359 0.523036 0.330455 O\n0.727918 0.569366 0.089267 O\n0.272082 0.430634 0.910733 O\n0.472359 0.778525 0.874573 O\n0.527641 0.221475 0.125427 O\n0.277650 0.223372 0.379559 O\n0.722350 0.776628 0.620441 O\n0.869745 0.988602 0.150228 O\n0.130255 0.011398 0.849772 O\n0.717728 0.056908 0.785152 O\n0.282272 0.943092 0.214848 O\n0.256639 0.058416 0.606852 O\n0.743361 0.941584 0.393148 O\n0.875660 0.327055 0.109392 O\n0.124340 0.672945 0.890608 O\n0.241905 0.548786 0.330621 O\n0.758095 0.451214 0.669379 O\n","nsites":53,"nelements":6,"elements":["Al","Fe","Cu","P","H","O"],"chemical_system":"Al-Cu-Fe-H-O-P","density":2.889721329707966,"density_atomic":0.10990905877139685,"volume":482.2168490245767,"volume_molar":5.479203286169188,"formula_full":"Al4 Fe2 Cu1 P4 H16 O26","formula_reduced":"Al4Fe2CuP4(H8O13)2","formula_anonymous":"AB2C4D4E16F26","energy":-345.22373701000004,"energy_per_atom":-6.5136554152830195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-322.84973701,"band_gap":0.7703000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0042591,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.304000Z","spacegroup":2},{"id":"mp-567914","created_at":"2022-09-04T14:41:48.059698Z","structure_string":"Te8 I32\n1.0\n-8.883476 8.883476 6.205328\n8.883476 -8.883476 6.205328\n8.883476 8.883476 -6.205328\nTe I\n8 32\ndirect\n0.358615 0.496181 0.137567 Te\n0.503819 0.641385 0.862433 Te\n0.746181 0.108615 0.637567 Te\n0.358615 0.221048 0.862433 Te\n0.778952 0.641385 0.137567 Te\n0.891385 0.253819 0.362433 Te\n0.891385 0.528952 0.637567 Te\n0.471048 0.108615 0.362433 Te\n0.763148 0.137052 0.139841 I\n0.990601 0.865960 0.124641 I\n0.486852 0.126693 0.873904 I\n0.115960 0.491318 0.375359 I\n0.387052 0.747212 0.873904 I\n0.376693 0.236852 0.373904 I\n0.255671 0.377504 0.878167 I\n0.134040 0.009399 0.875359 I\n0.508682 0.884040 0.624641 I\n0.387052 0.513148 0.639841 I\n0.115960 0.740601 0.624641 I\n0.376693 0.002788 0.139841 I\n0.622496 0.500663 0.878167 I\n0.750663 0.372496 0.378167 I\n0.997212 0.623307 0.860159 I\n0.252788 0.126693 0.639841 I\n0.134040 0.258682 0.124641 I\n0.252788 0.612948 0.126096 I\n0.486852 0.612948 0.360159 I\n0.873307 0.513148 0.126096 I\n0.862948 0.002788 0.626096 I\n0.627504 0.249337 0.621833 I\n0.499337 0.377504 0.121833 I\n0.862948 0.236852 0.860159 I\n0.622496 0.744329 0.121833 I\n0.873307 0.747212 0.360159 I\n0.627504 0.005671 0.378167 I\n0.763148 0.623307 0.626096 I\n0.994329 0.372496 0.621833 I\n0.741318 0.865960 0.875359 I\n0.997212 0.137052 0.373904 I\n0.259399 0.884040 0.375359 I\n","nsites":40,"nelements":2,"elements":["Te","I"],"chemical_system":"I-Te","density":4.307955397028141,"density_atomic":0.020420641967501398,"volume":1958.8022777960816,"volume_molar":29.490457594741564,"formula_full":"Te8 I32","formula_reduced":"TeI4","formula_anonymous":"AB4","energy":-90.64356749,"energy_per_atom":-2.26608918725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.51556749,"band_gap":1.769,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.213000Z","spacegroup":141},{"id":"mp-780303","created_at":"2022-09-04T14:41:35.257572Z","structure_string":"Li4 Fe3 Sb1 O8\n1.0\n3.056264 5.234087 0.000000\n-3.056264 5.234087 0.000000\n0.000000 3.423471 5.049990\nLi Fe Sb O\n4 3 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Sb\n0.267272 0.267272 0.749587 O\n0.754104 0.238323 0.272727 O\n0.769068 0.769068 0.728306 O\n0.732728 0.732728 0.250413 O\n0.238323 0.754104 0.272727 O\n0.245896 0.761677 0.727273 O\n0.230932 0.230932 0.271694 O\n0.761677 0.245896 0.727273 O\n","nsites":16,"nelements":4,"elements":["Li","Fe","Sb","O"],"chemical_system":"Fe-Li-O-Sb","density":4.574142440047263,"density_atomic":0.09903020221725382,"volume":161.5668719417434,"volume_molar":6.081115281162957,"formula_full":"Li4 Fe3 Sb1 O8","formula_reduced":"Li4Fe3SbO8","formula_anonymous":"AB3C4D8","energy":-107.95218674,"energy_per_atom":-6.74701167125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.68818674,"band_gap":0.8274999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0001632,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.565000Z","spacegroup":12}]}