{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=52","results":[{"id":"mp-556462","created_at":"2022-09-04T14:48:30.807130Z","structure_string":"Cd10 Mo4 P16 O56\n1.0\n5.071791 4.512359 0.000000\n-5.071791 4.512359 0.000000\n0.000000 3.440070 24.664783\nCd Mo P O\n10 4 16 56\ndirect\n0.680370 0.699489 0.009110 Cd\n0.319630 0.300511 0.990890 Cd\n0.201972 0.798028 0.750000 Cd\n0.798028 0.201972 0.250000 Cd\n0.117130 0.416016 0.862317 Cd\n0.882870 0.583984 0.137683 Cd\n0.416016 0.117130 0.362317 Cd\n0.300511 0.319630 0.490890 Cd\n0.699489 0.680370 0.509110 Cd\n0.583984 0.882870 0.637683 Cd\n0.024978 0.719629 0.382966 Mo\n0.280371 0.975022 0.117034 Mo\n0.719629 0.024978 0.882966 Mo\n0.975022 0.280371 0.617034 Mo\n0.306641 0.202120 0.230592 P\n0.693359 0.797880 0.769408 P\n0.176766 0.769159 0.006747 P\n0.769159 0.176766 0.506747 P\n0.805482 0.082076 0.112594 P\n0.525000 0.619048 0.373382 P\n0.475000 0.380952 0.626618 P\n0.797880 0.693359 0.269408 P\n0.082076 0.805482 0.612594 P\n0.230841 0.823234 0.493253 P\n0.619048 0.525000 0.873382 P\n0.194518 0.917924 0.887406 P\n0.380952 0.475000 0.126618 P\n0.202120 0.306641 0.730592 P\n0.917924 0.194518 0.387406 P\n0.823234 0.230841 0.993253 P\n0.952955 0.930013 0.125212 O\n0.894863 0.183950 0.052024 O\n0.712875 0.979175 0.801829 O\n0.670050 0.983101 0.539319 O\n0.116516 0.258617 0.256938 O\n0.639333 0.238971 0.629161 O\n0.703644 0.709124 0.402094 O\n0.412224 0.435693 0.900188 O\n0.020825 0.287125 0.698171 O\n0.564307 0.587776 0.599812 O\n0.410113 0.393889 0.187010 O\n0.979175 0.712875 0.301829 O\n0.636260 0.344039 0.503120 O\n0.981509 0.598414 0.606223 O\n0.031349 0.740268 0.472079 O\n0.393889 0.410113 0.687010 O\n0.538103 0.815287 0.728620 O\n0.968651 0.259732 0.527921 O\n0.047045 0.069987 0.874788 O\n0.761029 0.360667 0.870839 O\n0.363740 0.655961 0.496880 O\n0.258617 0.116516 0.756938 O\n0.069987 0.047045 0.374788 O\n0.360667 0.761029 0.370839 O\n0.930013 0.952955 0.625212 O\n0.016899 0.329950 0.960681 O\n0.296356 0.290876 0.597906 O\n0.587776 0.564307 0.099812 O\n0.816050 0.105137 0.447976 O\n0.461897 0.184713 0.271380 O\n0.709124 0.703644 0.902094 O\n0.329950 0.016899 0.460681 O\n0.983101 0.670050 0.039319 O\n0.753735 0.179767 0.350017 O\n0.401586 0.018491 0.893777 O\n0.183950 0.894863 0.552024 O\n0.606111 0.589887 0.312990 O\n0.105137 0.816050 0.947976 O\n0.741383 0.883484 0.243062 O\n0.820233 0.246265 0.149983 O\n0.344039 0.636260 0.003120 O\n0.287125 0.020825 0.198171 O\n0.179767 0.753735 0.850017 O\n0.290876 0.296356 0.097906 O\n0.246265 0.820233 0.649983 O\n0.598414 0.981509 0.106223 O\n0.238971 0.639333 0.129161 O\n0.259732 0.968651 0.027921 O\n0.883484 0.741383 0.743062 O\n0.655961 0.363740 0.996880 O\n0.589887 0.606111 0.812990 O\n0.018491 0.401586 0.393777 O\n0.184713 0.461897 0.771380 O\n0.815287 0.538103 0.228620 O\n0.435693 0.412224 0.400188 O\n0.740268 0.031349 0.972079 O\n","nsites":86,"nelements":4,"elements":["Cd","Mo","P","O"],"chemical_system":"Cd-Mo-O-P","density":4.26468962411916,"density_atomic":0.07617740311188739,"volume":1128.9437088539948,"volume_molar":7.905416191668855,"formula_full":"Cd10 Mo4 P16 O56","formula_reduced":"Cd5Mo2(P2O7)4","formula_anonymous":"A2B5C8D28","energy":-622.60695284,"energy_per_atom":-7.239615730697674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-571.32695284,"band_gap":2.5954,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9998399,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.340000Z","spacegroup":15},{"id":"mp-1383356","created_at":"2022-09-04T14:48:31.571258Z","structure_string":"Ba1 Hf1 S3\n1.0\n3.544187 -3.543376 0.000000\n3.544187 3.543376 0.000000\n0.001623 0.000000 5.011664\nBa Hf S\n1 1 3\ndirect\n0.008628 0.008628 0.008628 Ba\n0.510476 0.510476 0.510476 Hf\n0.011417 0.513143 0.513143 S\n0.513143 0.513143 0.011417 S\n0.513143 0.011417 0.513143 S\n","nsites":5,"nelements":3,"elements":["Ba","Hf","S"],"chemical_system":"Ba-Hf-S","density":5.435170255671467,"density_atomic":0.039721367758135714,"volume":125.8768336086791,"volume_molar":15.160960208291286,"formula_full":"Ba1 Hf1 S3","formula_reduced":"BaHfS3","formula_anonymous":"ABC3","energy":-34.84593258,"energy_per_atom":-6.969186516000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.33693258,"band_gap":0.8588999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.39e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.334000Z","spacegroup":221},{"id":"mp-757563","created_at":"2022-09-04T14:48:30.915725Z","structure_string":"Li24 Co24 P24 O96\n1.0\n4.997003 -8.655064 0.000000\n4.997003 8.655064 0.000000\n0.000000 0.000000 22.713206\nLi Co P O\n24 24 24 96\ndirect\n0.007742 0.947722 0.418730 Li\n0.062131 0.561701 0.916984 Li\n0.061252 0.515475 0.256377 Li\n0.024427 0.480806 0.587190 Li\n0.456379 0.975573 0.920524 Li\n0.454224 0.938748 0.589711 Li\n0.052278 0.060019 0.085396 Li\n0.499570 0.937869 0.250317 Li\n0.060019 0.007742 0.252063 Li\n0.438299 0.500430 0.583650 Li\n0.484525 0.545776 0.923044 Li\n0.519194 0.543621 0.253857 Li\n0.480806 0.456379 0.753857 Li\n0.515475 0.454224 0.423044 Li\n0.561701 0.499570 0.083650 Li\n0.939981 0.992258 0.752063 Li\n0.500430 0.062131 0.750317 Li\n0.947722 0.939981 0.585396 Li\n0.545776 0.061252 0.089711 Li\n0.543621 0.024427 0.420524 Li\n0.975573 0.519194 0.087190 Li\n0.938748 0.484525 0.756377 Li\n0.937869 0.438299 0.416984 Li\n0.992258 0.052278 0.918730 Li\n0.146937 0.834324 0.679483 Co\n0.189385 0.884968 0.010692 Co\n0.176723 0.789331 0.375952 Co\n0.115032 0.304417 0.677358 Co\n0.329734 0.673305 0.820013 Co\n0.326695 0.656429 0.486680 Co\n0.343571 0.670266 0.153347 Co\n0.165676 0.312613 0.346150 Co\n0.210669 0.387392 0.042618 Co\n0.612608 0.823277 0.709285 Co\n0.304417 0.189385 0.844025 Co\n0.312613 0.146937 0.512816 Co\n0.687387 0.853063 0.012816 Co\n0.695583 0.810615 0.344025 Co\n0.387392 0.176723 0.209285 Co\n0.789331 0.612608 0.542618 Co\n0.834324 0.687387 0.846150 Co\n0.656429 0.329734 0.653347 Co\n0.673305 0.343571 0.986680 Co\n0.670266 0.326695 0.320013 Co\n0.884968 0.695583 0.177358 Co\n0.823277 0.210669 0.875952 Co\n0.810615 0.115032 0.510692 Co\n0.853063 0.165676 0.179483 Co\n0.171931 0.856274 0.813047 P\n0.131956 0.778922 0.509032 P\n0.217977 0.881357 0.146335 P\n0.118643 0.336620 0.813002 P\n0.328208 0.687397 0.009593 P\n0.143726 0.315657 0.479714 P\n0.312603 0.640811 0.676260 P\n0.359189 0.671792 0.342927 P\n0.221078 0.353034 0.175699 P\n0.646966 0.868044 0.842366 P\n0.336620 0.217977 0.979669 P\n0.315657 0.171931 0.646380 P\n0.684343 0.828069 0.146380 P\n0.663380 0.782023 0.479669 P\n0.353034 0.131956 0.342366 P\n0.778922 0.646966 0.675699 P\n0.640811 0.328208 0.842927 P\n0.687397 0.359189 0.176260 P\n0.856274 0.684343 0.979714 P\n0.671792 0.312603 0.509593 P\n0.881357 0.663380 0.313002 P\n0.782023 0.118643 0.646335 P\n0.868044 0.221078 0.009032 P\n0.828069 0.143726 0.313047 P\n0.015524 0.707311 0.798514 O\n0.134372 0.973975 0.842769 O\n0.012392 0.678726 0.556975 O\n0.132996 0.933794 0.498352 O\n0.180528 0.990300 0.183037 O\n0.066208 0.728052 0.131939 O\n0.084258 0.680075 0.451584 O\n0.260565 0.923337 0.754138 O\n0.293504 0.961077 0.087111 O\n0.157364 0.640281 0.674313 O\n0.206175 0.709675 0.975629 O\n0.277045 0.823874 0.854125 O\n0.208748 0.656572 0.316658 O\n0.295199 0.812814 0.528361 O\n0.038923 0.332427 0.753777 O\n0.334759 0.852865 0.181663 O\n0.147135 0.481894 0.848330 O\n0.009700 0.190228 0.849704 O\n0.076663 0.337229 0.420805 O\n0.026025 0.160397 0.509435 O\n0.261929 0.630663 0.072644 O\n0.066206 0.199202 0.165018 O\n0.176126 0.453171 0.520792 O\n0.187186 0.482385 0.195028 O\n0.368734 0.738071 0.405978 O\n0.290325 0.496501 0.642295 O\n0.369337 0.631266 0.739311 O\n0.343428 0.552176 0.983324 O\n0.447824 0.791252 0.649991 O\n0.482916 0.842636 0.007646 O\n0.359719 0.517084 0.340980 O\n0.160397 0.134372 0.676102 O\n0.190228 0.180528 0.016371 O\n0.271948 0.338156 0.798606 O\n0.319925 0.404183 0.118251 O\n0.503499 0.793825 0.308962 O\n0.199202 0.132996 0.331685 O\n0.292689 0.308213 0.465181 O\n0.321274 0.333666 0.223642 O\n0.517615 0.704801 0.861694 O\n0.595817 0.915742 0.784917 O\n0.546829 0.722955 0.187459 O\n0.332427 0.293504 0.920444 O\n0.666334 0.987608 0.890308 O\n0.518106 0.665241 0.514997 O\n0.337229 0.260565 0.587471 O\n0.661844 0.933792 0.465272 O\n0.691787 0.984476 0.131847 O\n0.308213 0.015524 0.631847 O\n0.338156 0.066208 0.965272 O\n0.662771 0.739435 0.087471 O\n0.481894 0.334759 0.014997 O\n0.333666 0.012392 0.390308 O\n0.667573 0.706496 0.420444 O\n0.453171 0.277045 0.687459 O\n0.404183 0.084258 0.284917 O\n0.482385 0.295199 0.361694 O\n0.678726 0.666334 0.723642 O\n0.707311 0.691787 0.965181 O\n0.800798 0.867004 0.831685 O\n0.496501 0.206175 0.808962 O\n0.680075 0.595817 0.618251 O\n0.728052 0.661844 0.298606 O\n0.809772 0.819472 0.516371 O\n0.839603 0.865628 0.176102 O\n0.640281 0.482916 0.840980 O\n0.517084 0.157364 0.507646 O\n0.552176 0.208748 0.149991 O\n0.656572 0.447824 0.483324 O\n0.630663 0.368734 0.239311 O\n0.709675 0.503499 0.142295 O\n0.631266 0.261929 0.905978 O\n0.812814 0.517615 0.695028 O\n0.823874 0.546829 0.020792 O\n0.933794 0.800798 0.665018 O\n0.738071 0.369337 0.572644 O\n0.973975 0.839603 0.009435 O\n0.923337 0.662771 0.920805 O\n0.990300 0.809772 0.349704 O\n0.852865 0.518106 0.348330 O\n0.665241 0.147135 0.681663 O\n0.961077 0.667573 0.253777 O\n0.704801 0.187186 0.028361 O\n0.791252 0.343428 0.816658 O\n0.722955 0.176126 0.354125 O\n0.793825 0.290325 0.475629 O\n0.842636 0.359719 0.174313 O\n0.706496 0.038923 0.587111 O\n0.739435 0.076663 0.254138 O\n0.915742 0.319925 0.951584 O\n0.933792 0.271948 0.631939 O\n0.819472 0.009700 0.683037 O\n0.867004 0.066206 0.998352 O\n0.987608 0.321274 0.056975 O\n0.865628 0.026025 0.342769 O\n0.984476 0.292689 0.298514 O\n","nsites":168,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":3.2627295695369845,"density_atomic":0.08551079664232972,"volume":1964.6641897478983,"volume_molar":7.042550176662615,"formula_full":"Li24 Co24 P24 O96","formula_reduced":"LiCoPO4","formula_anonymous":"ABCD4","energy":-1203.82158164,"energy_per_atom":-7.165604652619048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1098.55758164,"band_gap":2.9125,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":72.0558293,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.278000Z","spacegroup":170},{"id":"mp-1103525","created_at":"2022-09-04T14:48:31.073355Z","structure_string":"Yb4 Zn2 Se8\n1.0\n0.000000 5.776990 5.776990\n5.776990 0.000000 5.776990\n5.776990 5.776990 0.000000\nYb Zn Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Yb\n0.625000 0.125000 0.625000 Yb\n0.625000 0.625000 0.125000 Yb\n0.625000 0.625000 0.625000 Yb\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.878867 0.373711 0.373711 Se\n0.373711 0.878867 0.373711 Se\n0.373711 0.373711 0.878867 Se\n0.373711 0.373711 0.373711 Se\n0.371133 0.876289 0.876289 Se\n0.876289 0.371133 0.876289 Se\n0.876289 0.876289 0.371133 Se\n0.876289 0.876289 0.876289 Se\n","nsites":14,"nelements":3,"elements":["Yb","Zn","Se"],"chemical_system":"Se-Yb-Zn","density":6.264337590861761,"density_atomic":0.03630723637769973,"volume":385.5980624457261,"volume_molar":16.586612920224518,"formula_full":"Yb4 Zn2 Se8","formula_reduced":"Yb2ZnSe4","formula_anonymous":"AB2C4","energy":-54.93970469,"energy_per_atom":-3.9242646207142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.16370469,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003732,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.278000Z","spacegroup":227},{"id":"mp-600233","created_at":"2022-09-04T14:48:30.903690Z","structure_string":"Co4 H56 C12 N4 Cl12 O8\n1.0\n7.281171 0.000000 0.000000\n0.000000 8.245992 0.000000\n0.000000 0.000000 16.876708\nCo H C N Cl O\n4 56 12 4 12 8\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.074075 0.688772 0.961176 H\n0.573913 0.694124 0.715469 H\n0.461912 0.788502 0.310607 H\n0.750000 0.744534 0.371214 H\n0.750000 0.755466 0.871214 H\n0.461912 0.711498 0.810607 H\n0.925925 0.311228 0.038824 H\n0.873859 0.491095 0.865954 H\n0.926087 0.805876 0.215469 H\n0.538088 0.288502 0.189393 H\n0.250000 0.543777 0.224962 H\n0.126141 0.991095 0.634046 H\n0.038088 0.711498 0.810607 H\n0.079727 0.117285 0.230363 H\n0.373859 0.991095 0.634046 H\n0.574075 0.188772 0.538824 H\n0.961912 0.288502 0.189393 H\n0.425925 0.811228 0.461176 H\n0.574075 0.311228 0.038824 H\n0.073913 0.305876 0.284531 H\n0.038088 0.788502 0.310607 H\n0.100557 0.314107 0.983772 H\n0.920273 0.617285 0.269637 H\n0.626141 0.008905 0.365954 H\n0.750000 0.456223 0.775038 H\n0.961912 0.211498 0.689393 H\n0.750000 0.043777 0.275038 H\n0.538088 0.211498 0.689393 H\n0.250000 0.255466 0.628786 H\n0.579727 0.882715 0.769637 H\n0.079727 0.382715 0.730363 H\n0.579727 0.617285 0.269637 H\n0.626141 0.491095 0.865954 H\n0.925925 0.188772 0.538824 H\n0.074075 0.811228 0.461176 H\n0.926087 0.694124 0.715469 H\n0.425925 0.688772 0.961176 H\n0.073913 0.194124 0.784531 H\n0.250000 0.956223 0.724962 H\n0.899443 0.814107 0.516228 H\n0.420273 0.117285 0.230363 H\n0.100557 0.185893 0.483772 H\n0.600557 0.814107 0.516228 H\n0.920273 0.882715 0.769637 H\n0.250000 0.244534 0.128786 H\n0.873859 0.008905 0.365954 H\n0.600557 0.685893 0.016228 H\n0.426087 0.194124 0.784531 H\n0.399443 0.185893 0.483772 H\n0.899443 0.685893 0.016228 H\n0.126141 0.508905 0.134046 H\n0.373859 0.508905 0.134046 H\n0.573913 0.805876 0.215469 H\n0.426087 0.305876 0.284531 H\n0.420273 0.382715 0.730363 H\n0.399443 0.314107 0.983772 H\n0.421465 0.250502 0.725565 C\n0.921465 0.749498 0.274435 C\n0.750000 0.520414 0.831958 C\n0.921465 0.750502 0.774435 C\n0.250000 0.020414 0.668042 C\n0.250000 0.479586 0.168042 C\n0.421465 0.249498 0.225565 C\n0.578535 0.749498 0.274435 C\n0.750000 0.979586 0.331958 C\n0.578535 0.750502 0.774435 C\n0.078535 0.250502 0.725565 C\n0.078535 0.249498 0.225565 C\n0.250000 0.198632 0.683873 N\n0.750000 0.801368 0.316127 N\n0.750000 0.698632 0.816127 N\n0.250000 0.301368 0.183873 N\n0.250000 0.002041 0.418162 Cl\n0.750000 0.502041 0.081838 Cl\n0.750000 0.435285 0.404820 Cl\n0.750000 0.064715 0.904820 Cl\n0.250000 0.494391 0.403080 Cl\n0.250000 0.935285 0.095180 Cl\n0.250000 0.564715 0.595180 Cl\n0.750000 0.505609 0.596920 Cl\n0.250000 0.005609 0.903080 Cl\n0.750000 0.994391 0.096920 Cl\n0.750000 0.997959 0.581838 Cl\n0.250000 0.497959 0.918162 Cl\n0.537652 0.748498 0.475072 O\n0.962348 0.751502 0.975072 O\n0.037652 0.248498 0.024928 O\n0.037652 0.251502 0.524928 O\n0.537652 0.751502 0.975072 O\n0.462348 0.248498 0.024928 O\n0.962348 0.748498 0.475072 O\n0.462348 0.251502 0.524928 O\n","nsites":96,"nelements":6,"elements":["Co","H","C","N","Cl","O"],"chemical_system":"C-Cl-Co-H-N-O","density":1.7137632830089133,"density_atomic":0.0947413037700932,"volume":1013.2856122917757,"volume_molar":6.3564047784415205,"formula_full":"Co4 H56 C12 N4 Cl12 O8","formula_reduced":"CoH14C3NCl3O2","formula_anonymous":"ABC2D3E3F14","energy":-489.50094537,"energy_per_atom":-5.0989681809375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-468.64094537000005,"band_gap":2.6521,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0004828,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.248000Z","spacegroup":62},{"id":"mp-5012","created_at":"2022-09-04T14:48:30.765385Z","structure_string":"Li4 Si2 O6\n1.0\n2.720000 -4.733696 0.000000\n2.720000 4.733696 0.000000\n0.000000 0.000000 4.719622\nLi Si O\n4 2 6\ndirect\n0.482001 0.829535 0.994299 Li\n0.517999 0.170465 0.494299 Li\n0.170465 0.517999 0.494299 Li\n0.829534 0.482001 0.994299 Li\n0.828277 0.828277 0.499537 Si\n0.171723 0.171723 0.999537 Si\n0.885214 0.885214 0.145415 O\n0.835779 0.545426 0.580826 O\n0.545426 0.835779 0.580826 O\n0.114786 0.114786 0.645415 O\n0.454574 0.164221 0.080826 O\n0.164221 0.454574 0.080826 O\n","nsites":12,"nelements":3,"elements":["Li","Si","O"],"chemical_system":"Li-O-Si","density":2.458383181249841,"density_atomic":0.09873582641797486,"volume":121.5364314590413,"volume_molar":6.0992458142869905,"formula_full":"Li4 Si2 O6","formula_reduced":"Li2SiO3","formula_anonymous":"AB2C3","energy":-82.76883259,"energy_per_atom":-6.8974027158333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.64683259,"band_gap":5.028600000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.238000Z","spacegroup":36},{"id":"mp-1255447","created_at":"2022-09-04T14:48:31.375550Z","structure_string":"Zn2 Fe2 Si4 O12\n1.0\n5.251647 0.149203 1.243435\n1.513532 6.635511 0.455802\n0.202607 -0.202579 6.816849\nZn Fe Si O\n2 2 4 12\ndirect\n0.749866 0.235192 0.764859 Zn\n0.249925 0.764816 0.235232 Zn\n0.249978 0.104043 0.895731 Fe\n0.749943 0.895850 0.104136 Fe\n0.220931 0.221283 0.387328 Si\n0.279130 0.612612 0.778818 Si\n0.720985 0.387333 0.221230 Si\n0.779166 0.778749 0.612574 Si\n0.458883 0.334356 0.378038 O\n0.041410 0.622123 0.665515 O\n0.541333 0.665511 0.622118 O\n0.958844 0.378087 0.334322 O\n0.123071 0.147553 0.619207 O\n0.376651 0.380740 0.852759 O\n0.876742 0.852608 0.380705 O\n0.623202 0.619217 0.147422 O\n0.839087 0.208735 0.041708 O\n0.660826 0.958300 0.791185 O\n0.339112 0.041641 0.208821 O\n0.160913 0.791254 0.958294 O\n","nsites":20,"nelements":4,"elements":["Zn","Fe","Si","O"],"chemical_system":"Fe-O-Si-Zn","density":3.873031673253552,"density_atomic":0.08530401026522236,"volume":234.45556589681001,"volume_molar":7.059622098980228,"formula_full":"Zn2 Fe2 Si4 O12","formula_reduced":"ZnFe(SiO3)2","formula_anonymous":"ABC2D6","energy":-152.83744013,"energy_per_atom":-7.6418720065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.08144013,"band_gap":3.1041000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.003109,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.237000Z","spacegroup":15},{"id":"mp-1221658","created_at":"2022-09-04T14:48:30.641946Z","structure_string":"Mn6 Zn2 C1 N1\n1.0\n3.880029 0.000000 0.000000\n0.000000 3.880029 0.000000\n0.000000 0.000000 7.603550\nMn Zn C N\n6 2 1 1\ndirect\n0.000000 0.000000 0.248783 Mn\n0.000000 0.000000 0.751217 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.251502 Zn\n0.500000 0.500000 0.748498 Zn\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 N\n","nsites":10,"nelements":4,"elements":["Mn","Zn","C","N"],"chemical_system":"C-Mn-N-Zn","density":7.0568869475112175,"density_atomic":0.08736020624110642,"volume":114.46859422928658,"volume_molar":6.893459870480874,"formula_full":"Mn6 Zn2 C1 N1","formula_reduced":"Mn6Zn2CN","formula_anonymous":"ABC2D6","energy":-76.5098844,"energy_per_atom":-7.650988440000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.1488844,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0111182,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.219000Z","spacegroup":123},{"id":"mp-1095324","created_at":"2022-09-04T14:48:30.776362Z","structure_string":"U2 In8 Rh1\n1.0\n4.669686 0.000000 0.000000\n0.000000 4.669686 0.000000\n0.000000 0.000000 12.127390\nU In Rh\n2 8 1\ndirect\n0.500000 0.500000 0.691148 U\n0.500000 0.500000 0.308852 U\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.876428 In\n0.500000 0.000000 0.876428 In\n0.000000 0.500000 0.123572 In\n0.500000 0.000000 0.123572 In\n0.000000 0.000000 0.690555 In\n0.000000 0.000000 0.309445 In\n0.500000 0.500000 0.000000 Rh\n","nsites":11,"nelements":3,"elements":["U","In","Rh"],"chemical_system":"In-Rh-U","density":9.403192999781721,"density_atomic":0.04159584812144458,"volume":264.44947024241566,"volume_molar":14.477744851884168,"formula_full":"U2 In8 Rh1","formula_reduced":"U2In8Rh","formula_anonymous":"AB2C8","energy":-53.31359379,"energy_per_atom":-4.846690344545454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.31359379,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0369934,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.189000Z","spacegroup":123},{"id":"mp-1192146","created_at":"2022-09-04T14:48:30.714646Z","structure_string":"Nb4 Te16 Os4\n1.0\n3.778927 0.000000 0.000000\n0.000000 12.617303 0.000000\n0.000000 0.000000 13.657905\nNb Te Os\n4 16 4\ndirect\n0.500000 0.941140 0.505870 Nb\n0.000000 0.058860 0.005870 Nb\n0.500000 0.724624 0.989519 Nb\n0.000000 0.275376 0.489519 Nb\n0.500000 0.933526 0.895141 Te\n0.000000 0.066474 0.395141 Te\n0.500000 0.802897 0.354259 Te\n0.000000 0.197103 0.854259 Te\n0.500000 0.652293 0.591246 Te\n0.000000 0.347707 0.091246 Te\n0.500000 0.583207 0.137519 Te\n0.000000 0.416793 0.637519 Te\n0.500000 0.434890 0.899858 Te\n0.000000 0.565110 0.399858 Te\n0.500000 0.324741 0.347523 Te\n0.000000 0.675259 0.847523 Te\n0.500000 0.149915 0.603414 Te\n0.000000 0.850085 0.103414 Te\n0.500000 0.108864 0.147631 Te\n0.000000 0.891136 0.647631 Te\n0.500000 0.455071 0.502687 Os\n0.000000 0.544929 0.002687 Os\n0.500000 0.236882 0.989335 Os\n0.000000 0.763118 0.489335 Os\n","nsites":24,"nelements":3,"elements":["Nb","Te","Os"],"chemical_system":"Nb-Os-Te","density":8.093880873387944,"density_atomic":0.03685463539634437,"volume":651.2070935419041,"volume_molar":16.34025325508264,"formula_full":"Nb4 Te16 Os4","formula_reduced":"NbTe4Os","formula_anonymous":"ABC4","energy":-148.88951943,"energy_per_atom":-6.20372997625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.13751943,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041068,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.158000Z","spacegroup":31},{"id":"mp-1201926","created_at":"2022-09-04T14:48:30.651385Z","structure_string":"Nd8 Fe8 Sb24\n1.0\n6.147344 0.000000 0.000000\n0.000000 12.133969 0.000000\n0.000000 0.000000 12.725729\nNd Fe Sb\n8 8 24\ndirect\n0.250000 0.500000 0.701441 Nd\n0.750000 0.000000 0.298559 Nd\n0.750000 0.500000 0.298559 Nd\n0.250000 0.000000 0.701441 Nd\n0.224714 0.250000 0.304944 Nd\n0.775286 0.750000 0.695056 Nd\n0.275286 0.750000 0.304944 Nd\n0.724714 0.250000 0.695056 Nd\n0.461480 0.361425 0.100363 Fe\n0.538520 0.861425 0.899637 Fe\n0.038520 0.638575 0.100363 Fe\n0.961480 0.138575 0.899637 Fe\n0.538520 0.638575 0.899637 Fe\n0.461480 0.138575 0.100363 Fe\n0.961480 0.361425 0.899637 Fe\n0.038520 0.861425 0.100363 Fe\n0.250000 0.500000 0.972093 Sb\n0.750000 0.000000 0.027907 Sb\n0.750000 0.500000 0.027907 Sb\n0.250000 0.000000 0.972093 Sb\n0.231339 0.250000 0.783623 Sb\n0.768661 0.750000 0.216377 Sb\n0.268661 0.750000 0.783623 Sb\n0.731339 0.250000 0.216377 Sb\n0.987145 0.376422 0.502648 Sb\n0.012855 0.876422 0.497352 Sb\n0.512855 0.623578 0.502648 Sb\n0.487145 0.123578 0.497352 Sb\n0.012855 0.623578 0.497352 Sb\n0.987145 0.123578 0.502648 Sb\n0.487145 0.376422 0.497352 Sb\n0.512855 0.876422 0.502648 Sb\n0.250000 0.500000 0.219301 Sb\n0.750000 0.000000 0.780699 Sb\n0.750000 0.500000 0.780699 Sb\n0.250000 0.000000 0.219301 Sb\n0.610283 0.250000 0.942437 Sb\n0.389717 0.750000 0.057563 Sb\n0.889717 0.750000 0.942437 Sb\n0.110283 0.250000 0.057563 Sb\n","nsites":40,"nelements":3,"elements":["Nd","Fe","Sb"],"chemical_system":"Fe-Nd-Sb","density":7.912185703134833,"density_atomic":0.042139261789248206,"volume":949.2335247839098,"volume_molar":14.291044750899134,"formula_full":"Nd8 Fe8 Sb24","formula_reduced":"NdFeSb3","formula_anonymous":"ABC3","energy":-229.02405751,"energy_per_atom":-5.72560143775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-224.41605751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0329946,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.136000Z","spacegroup":57},{"id":"mp-17314","created_at":"2022-09-04T14:48:31.585242Z","structure_string":"Li2 Mo6 P6 O32\n1.0\n6.465724 0.000000 0.000000\n1.238587 7.834031 0.000000\n2.668151 1.891183 12.281792\nLi Mo P O\n2 6 6 32\ndirect\n0.580679 0.350060 0.318948 Li\n0.419321 0.649940 0.681052 Li\n0.961961 0.798677 0.847878 Mo\n0.038039 0.201323 0.152122 Mo\n0.601962 0.249724 0.834480 Mo\n0.398038 0.750276 0.165520 Mo\n0.792949 0.787703 0.472933 Mo\n0.207051 0.212297 0.527067 Mo\n0.945588 0.509329 0.687452 P\n0.054412 0.490671 0.312548 P\n0.692666 0.159907 0.566853 P\n0.307334 0.840093 0.433147 P\n0.439949 0.844487 0.889509 P\n0.560051 0.155513 0.110491 P\n0.624878 0.214155 0.679757 O\n0.375122 0.785845 0.320243 O\n0.857325 0.382828 0.788798 O\n0.142675 0.617172 0.211202 O\n0.434269 0.040368 0.882597 O\n0.565731 0.959632 0.117403 O\n0.628476 0.241722 0.992850 O\n0.371524 0.758278 0.007150 O\n0.409287 0.423146 0.825804 O\n0.590713 0.576854 0.174196 O\n0.664135 0.760981 0.837715 O\n0.335865 0.239019 0.162285 O\n0.207066 0.052865 0.636684 O\n0.792934 0.947135 0.363316 O\n0.903995 0.225988 0.507144 O\n0.096005 0.774012 0.492856 O\n0.528534 0.248946 0.493587 O\n0.471466 0.751054 0.506413 O\n0.292226 0.038501 0.417158 O\n0.707774 0.961499 0.582842 O\n0.132060 0.418699 0.612198 O\n0.867940 0.581301 0.387802 O\n0.235082 0.397985 0.372189 O\n0.764918 0.602015 0.627811 O\n0.060715 0.285752 0.018129 O\n0.939285 0.714248 0.981871 O\n0.949101 0.355976 0.268915 O\n0.050899 0.644024 0.731085 O\n0.715897 0.195646 0.179827 O\n0.284103 0.804354 0.820173 O\n0.122446 0.978286 0.158091 O\n0.877554 0.021714 0.841909 O\n","nsites":46,"nelements":4,"elements":["Li","Mo","P","O"],"chemical_system":"Li-Mo-O-P","density":3.436212296441604,"density_atomic":0.0739424175541299,"volume":622.1057076788904,"volume_molar":8.144365520090632,"formula_full":"Li2 Mo6 P6 O32","formula_reduced":"LiMo3P3O16","formula_anonymous":"AB3C3D16","energy":-367.83044286,"energy_per_atom":-7.996313975217391,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-326.63444286,"band_gap":1.6483,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.001997,"is_theoretical":false,"updated_at":"2021-11-28T01:39:54.117000Z","spacegroup":2}]}