{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=3","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup","results":[{"id":"mp-1212395","created_at":"2022-09-04T14:48:15.466269Z","structure_string":"Mn8 Cd12 Ge12 O48\n1.0\n-6.265662 6.265662 6.265662\n6.265662 -6.265662 6.265662\n6.265662 6.265662 -6.265662\nMn Cd Ge O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.250000 0.375000 0.125000 Cd\n0.750000 0.625000 0.875000 Cd\n0.750000 0.125000 0.375000 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.750000 0.125000 Cd\n0.250000 0.875000 0.625000 Cd\n0.875000 0.750000 0.625000 Cd\n0.625000 0.250000 0.875000 Cd\n0.375000 0.125000 0.250000 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.750000 Cd\n0.875000 0.625000 0.250000 Cd\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.483055 0.378757 0.297928 O\n0.516945 0.621243 0.702072 O\n0.580829 0.185127 0.202072 O\n0.919171 0.121243 0.604298 O\n0.297928 0.483055 0.378757 O\n0.314873 0.919171 0.297928 O\n0.419171 0.814873 0.797928 O\n0.080829 0.878757 0.395702 O\n0.702072 0.516945 0.621243 O\n0.685127 0.080829 0.702072 O\n0.016945 0.314873 0.895702 O\n0.202072 0.580829 0.185127 O\n0.121243 0.016945 0.202072 O\n0.983055 0.685127 0.104298 O\n0.797928 0.419171 0.814873 O\n0.878757 0.983055 0.797928 O\n0.604298 0.919171 0.121243 O\n0.185127 0.483055 0.604298 O\n0.395702 0.080829 0.878757 O\n0.814873 0.516945 0.395702 O\n0.895702 0.016945 0.314873 O\n0.378757 0.580829 0.895702 O\n0.104298 0.983055 0.685127 O\n0.621243 0.419171 0.104298 O\n0.378757 0.297928 0.483055 O\n0.580829 0.895702 0.378757 O\n0.621243 0.702072 0.516945 O\n0.419171 0.104298 0.621243 O\n0.121243 0.604298 0.919171 O\n0.016945 0.202072 0.121243 O\n0.878757 0.395702 0.080829 O\n0.983055 0.797928 0.878757 O\n0.314873 0.895702 0.016945 O\n0.919171 0.297928 0.314873 O\n0.685127 0.104298 0.983055 O\n0.080829 0.702072 0.685127 O\n0.185127 0.202072 0.580829 O\n0.483055 0.604298 0.185127 O\n0.814873 0.797928 0.419171 O\n0.516945 0.395702 0.814873 O\n0.297928 0.314873 0.919171 O\n0.702072 0.685127 0.080829 O\n0.202072 0.121243 0.016945 O\n0.797928 0.878757 0.983055 O\n0.895702 0.378757 0.580829 O\n0.104298 0.621243 0.419171 O\n0.604298 0.185127 0.483055 O\n0.395702 0.814873 0.516945 O\n","nsites":80,"nelements":4,"elements":["Mn","Cd","Ge","O"],"chemical_system":"Cd-Ge-Mn-O","density":5.785489670557199,"density_atomic":0.08130721882415815,"volume":983.9224752357444,"volume_molar":7.406649553496584,"formula_full":"Mn8 Cd12 Ge12 O48","formula_reduced":"Mn2Cd3(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-526.12896772,"energy_per_atom":-6.5766120965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-479.80896772,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":31.8969494,"is_theoretical":true,"updated_at":"2021-11-28T01:40:00.886000Z","spacegroup":230},{"id":"mp-1201980","created_at":"2022-09-04T14:48:12.779472Z","structure_string":"Mn12 Fe8 Ge12 O48\n1.0\n-6.122952 6.122952 6.122952\n6.122952 -6.122952 6.122952\n6.122952 6.122952 -6.122952\nMn Fe Ge O\n12 8 12 48\ndirect\n0.125000 0.375000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.250000 0.375000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.875000 0.625000 0.250000 Mn\n0.625000 0.875000 0.750000 Mn\n0.625000 0.250000 0.875000 Mn\n0.875000 0.750000 0.625000 Mn\n0.250000 0.875000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.375000 0.625000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.375000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.085102 0.876652 0.400847 O\n0.975805 0.684255 0.099153 O\n0.524195 0.623348 0.708450 O\n0.414898 0.815745 0.791550 O\n0.876652 0.400847 0.085102 O\n0.684255 0.099153 0.975805 O\n0.623348 0.708450 0.524195 O\n0.815745 0.791550 0.414898 O\n0.400847 0.085102 0.876652 O\n0.099153 0.975805 0.684255 O\n0.708450 0.524195 0.623348 O\n0.791550 0.414898 0.815745 O\n0.914898 0.123348 0.599153 O\n0.024195 0.315745 0.900847 O\n0.475805 0.376652 0.291550 O\n0.585102 0.184255 0.208450 O\n0.123348 0.599153 0.914898 O\n0.315745 0.900847 0.024195 O\n0.376652 0.291550 0.475805 O\n0.184255 0.208450 0.585102 O\n0.599153 0.914898 0.123348 O\n0.900847 0.024195 0.315745 O\n0.291550 0.475805 0.376652 O\n0.208450 0.585102 0.184255 O\n0.585102 0.900847 0.376652 O\n0.475805 0.599153 0.184255 O\n0.024195 0.208450 0.123348 O\n0.914898 0.291550 0.315745 O\n0.376652 0.585102 0.900847 O\n0.184255 0.475805 0.599153 O\n0.123348 0.024195 0.208450 O\n0.315745 0.914898 0.291550 O\n0.900847 0.376652 0.585102 O\n0.599153 0.184255 0.475805 O\n0.208450 0.123348 0.024195 O\n0.291550 0.315745 0.914898 O\n0.414898 0.099153 0.623348 O\n0.524195 0.400847 0.815745 O\n0.975805 0.791550 0.876652 O\n0.085102 0.708450 0.684255 O\n0.623348 0.414898 0.099153 O\n0.815745 0.524195 0.400847 O\n0.876652 0.975805 0.791550 O\n0.684255 0.085102 0.708450 O\n0.099153 0.623348 0.414898 O\n0.400847 0.815745 0.524195 O\n0.791550 0.876652 0.975805 O\n0.708450 0.684255 0.085102 O\n","nsites":80,"nelements":4,"elements":["Mn","Fe","Ge","O"],"chemical_system":"Fe-Ge-Mn-O","density":4.965403232121391,"density_atomic":0.08712593084355527,"volume":918.211136746984,"volume_molar":6.911995891112434,"formula_full":"Mn12 Fe8 Ge12 O48","formula_reduced":"Mn3Fe2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-630.97547012,"energy_per_atom":-7.887193376499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-559.93547012,"band_gap":2.0808,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":100.0006701,"is_theoretical":false,"updated_at":"2021-11-28T01:38:35.203000Z","spacegroup":230},{"id":"mp-1211915","created_at":"2022-09-04T14:48:12.640791Z","structure_string":"K12 Cr8 As12 O48\n1.0\n-6.405988 6.405988 6.405988\n6.405988 -6.405988 6.405988\n6.405988 6.405988 -6.405988\nK Cr As O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 K\n0.750000 0.625000 0.875000 K\n0.750000 0.125000 0.375000 K\n0.125000 0.250000 0.375000 K\n0.375000 0.750000 0.125000 K\n0.250000 0.875000 0.625000 K\n0.875000 0.750000 0.625000 K\n0.625000 0.250000 0.875000 K\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.750000 K\n0.125000 0.375000 0.750000 K\n0.875000 0.625000 0.250000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.250000 0.625000 0.375000 As\n0.750000 0.375000 0.625000 As\n0.750000 0.875000 0.125000 As\n0.375000 0.250000 0.625000 As\n0.625000 0.750000 0.375000 As\n0.250000 0.125000 0.875000 As\n0.125000 0.750000 0.875000 As\n0.875000 0.250000 0.125000 As\n0.625000 0.375000 0.250000 As\n0.375000 0.625000 0.750000 As\n0.875000 0.125000 0.750000 As\n0.125000 0.875000 0.250000 As\n0.502412 0.395581 0.307880 O\n0.497588 0.604419 0.692120 O\n0.587701 0.194532 0.192120 O\n0.912299 0.104419 0.606831 O\n0.307880 0.502412 0.395581 O\n0.305468 0.912299 0.307880 O\n0.412299 0.805468 0.807880 O\n0.087701 0.895581 0.393169 O\n0.692120 0.497588 0.604419 O\n0.694532 0.087701 0.692120 O\n0.997588 0.305468 0.893169 O\n0.192120 0.587701 0.194532 O\n0.104419 0.997588 0.192120 O\n0.002412 0.694532 0.106831 O\n0.807880 0.412299 0.805468 O\n0.895581 0.002412 0.807880 O\n0.606831 0.912299 0.104419 O\n0.194532 0.502412 0.606831 O\n0.393169 0.087701 0.895581 O\n0.805468 0.497588 0.393169 O\n0.893169 0.997588 0.305468 O\n0.395581 0.587701 0.893169 O\n0.106831 0.002412 0.694532 O\n0.604419 0.412299 0.106831 O\n0.395581 0.307880 0.502412 O\n0.587701 0.893169 0.395581 O\n0.604419 0.692120 0.497588 O\n0.412299 0.106831 0.604419 O\n0.104419 0.606831 0.912299 O\n0.997588 0.192120 0.104419 O\n0.895581 0.393169 0.087701 O\n0.002412 0.807880 0.895581 O\n0.305468 0.893169 0.997588 O\n0.912299 0.307880 0.305468 O\n0.694532 0.106831 0.002412 O\n0.087701 0.692120 0.694532 O\n0.194532 0.192120 0.587701 O\n0.502412 0.606831 0.194532 O\n0.805468 0.807880 0.412299 O\n0.497588 0.393169 0.805468 O\n0.307880 0.305468 0.912299 O\n0.692120 0.694532 0.087701 O\n0.192120 0.104419 0.997588 O\n0.807880 0.895581 0.002412 O\n0.893169 0.395581 0.587701 O\n0.106831 0.604419 0.412299 O\n0.606831 0.194532 0.502412 O\n0.393169 0.805468 0.497588 O\n","nsites":80,"nelements":4,"elements":["K","Cr","As","O"],"chemical_system":"As-Cr-K-O","density":4.030341445621217,"density_atomic":0.07608019784438454,"volume":1051.5219763706855,"volume_molar":7.915516692422077,"formula_full":"K12 Cr8 As12 O48","formula_reduced":"K3Cr2(AsO4)3","formula_anonymous":"A2B3C3D12","energy":-542.91101859,"energy_per_atom":-6.786387732375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-493.94301859,"band_gap":2.338,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":24.0141404,"is_theoretical":true,"updated_at":"2021-11-28T01:38:40.920000Z","spacegroup":230},{"id":"mp-863434","created_at":"2022-09-04T14:48:12.271237Z","structure_string":"Li12 Mn8 P12 O48\n1.0\n-5.919846 5.919846 5.919846\n5.919846 -5.919846 5.919846\n5.919846 5.919846 -5.919846\nLi Mn P O\n12 8 12 48\ndirect\n0.750000 0.125000 0.375000 Li\n0.375000 0.125000 0.250000 Li\n0.875000 0.625000 0.250000 Li\n0.250000 0.375000 0.125000 Li\n0.625000 0.250000 0.875000 Li\n0.125000 0.250000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.875000 0.750000 0.625000 Li\n0.750000 0.625000 0.875000 Li\n0.125000 0.375000 0.750000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.875000 0.625000 Li\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.875000 0.250000 0.125000 P\n0.625000 0.375000 0.250000 P\n0.875000 0.125000 0.750000 P\n0.750000 0.875000 0.125000 P\n0.750000 0.375000 0.625000 P\n0.625000 0.750000 0.375000 P\n0.375000 0.250000 0.625000 P\n0.250000 0.625000 0.375000 P\n0.250000 0.125000 0.875000 P\n0.125000 0.875000 0.250000 P\n0.375000 0.625000 0.750000 P\n0.125000 0.750000 0.875000 P\n0.889399 0.007339 0.297623 O\n0.882060 0.389399 0.091775 O\n0.908225 0.290285 0.297623 O\n0.992661 0.702377 0.110601 O\n0.908225 0.117940 0.610601 O\n0.591775 0.202377 0.209715 O\n0.617940 0.408225 0.110601 O\n0.209715 0.117940 0.007339 O\n0.709715 0.702377 0.091775 O\n0.610601 0.202377 0.492661 O\n0.889399 0.382060 0.591775 O\n0.797623 0.507339 0.389399 O\n0.702377 0.091775 0.709715 O\n0.117940 0.007339 0.209715 O\n0.492661 0.382060 0.290285 O\n0.007339 0.209715 0.117940 O\n0.408225 0.110601 0.617940 O\n0.492661 0.610601 0.202377 O\n0.382060 0.290285 0.492661 O\n0.797623 0.790285 0.408225 O\n0.702377 0.110601 0.992661 O\n0.790285 0.408225 0.797623 O\n0.709715 0.507339 0.617940 O\n0.610601 0.908225 0.117940 O\n0.290285 0.492661 0.382060 O\n0.209715 0.591775 0.202377 O\n0.389399 0.091775 0.882060 O\n0.202377 0.209715 0.591775 O\n0.297623 0.889399 0.007339 O\n0.617940 0.709715 0.507339 O\n0.992661 0.790285 0.882060 O\n0.591775 0.889399 0.382060 O\n0.507339 0.389399 0.797623 O\n0.507339 0.617940 0.709715 O\n0.202377 0.492661 0.610601 O\n0.297623 0.908225 0.290285 O\n0.882060 0.992661 0.790285 O\n0.110601 0.617940 0.408225 O\n0.290285 0.297623 0.908225 O\n0.389399 0.797623 0.507339 O\n0.790285 0.882060 0.992661 O\n0.382060 0.591775 0.889399 O\n0.091775 0.882060 0.389399 O\n0.408225 0.797623 0.790285 O\n0.007339 0.297623 0.889399 O\n0.091775 0.709715 0.702377 O\n0.117940 0.610601 0.908225 O\n0.110601 0.992661 0.702377 O\n","nsites":80,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.3266505126257724,"density_atomic":0.0964048245346376,"volume":829.8339879375699,"volume_molar":6.246721353490234,"formula_full":"Li12 Mn8 P12 O48","formula_reduced":"Li3Mn2(PO4)3","formula_anonymous":"A2B3C3D12","energy":-597.6455766700001,"energy_per_atom":-7.470569708375001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-551.32557667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0185119,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.057000Z","spacegroup":230},{"id":"mp-1157822","created_at":"2022-09-04T14:48:07.663568Z","structure_string":"Zn12 Si12 Bi8 O48\n1.0\n-6.248994 6.248994 6.248994\n6.248994 -6.248994 6.248994\n6.248994 6.248994 -6.248994\nZn Si Bi O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.600617 0.892156 0.367864 O\n0.367864 0.600617 0.892156 O\n0.267248 0.291539 0.899383 O\n0.475709 0.607844 0.208461 O\n0.291539 0.892156 0.024291 O\n0.132136 0.024291 0.232752 O\n0.367864 0.267248 0.475709 O\n0.892156 0.367864 0.600617 O\n0.208461 0.232752 0.600617 O\n0.475709 0.367864 0.267248 O\n0.892156 0.024291 0.291539 O\n0.607844 0.899383 0.132136 O\n0.899383 0.132136 0.607844 O\n0.267248 0.475709 0.367864 O\n0.600617 0.208461 0.232752 O\n0.232752 0.600617 0.208461 O\n0.024291 0.291539 0.892156 O\n0.899383 0.267248 0.291539 O\n0.024291 0.232752 0.132136 O\n0.791539 0.767248 0.399383 O\n0.208461 0.475709 0.607844 O\n0.607844 0.208461 0.475709 O\n0.232752 0.132136 0.024291 O\n0.132136 0.607844 0.899383 O\n0.399383 0.107844 0.632136 O\n0.632136 0.399383 0.107844 O\n0.732752 0.708461 0.100617 O\n0.524291 0.392156 0.791539 O\n0.708461 0.107844 0.975709 O\n0.867864 0.975709 0.767248 O\n0.632136 0.732752 0.524291 O\n0.107844 0.632136 0.399383 O\n0.867864 0.392156 0.100617 O\n0.767248 0.867864 0.975709 O\n0.392156 0.791539 0.524291 O\n0.708461 0.100617 0.732752 O\n0.791539 0.524291 0.392156 O\n0.975709 0.767248 0.867864 O\n0.100617 0.732752 0.708461 O\n0.975709 0.708461 0.107844 O\n0.767248 0.399383 0.791539 O\n0.399383 0.791539 0.767248 O\n0.732752 0.524291 0.632136 O\n0.100617 0.867864 0.392156 O\n0.392156 0.100617 0.867864 O\n0.107844 0.975709 0.708461 O\n0.524291 0.632136 0.732752 O\n0.291539 0.899383 0.267248 O\n","nsites":80,"nelements":4,"elements":["Zn","Si","Bi","O"],"chemical_system":"Bi-O-Si-Zn","density":6.059293941255295,"density_atomic":0.08195957026737698,"volume":976.0910133986274,"volume_molar":7.347696846571975,"formula_full":"Zn12 Si12 Bi8 O48","formula_reduced":"Zn3Si3(BiO6)2","formula_anonymous":"A2B3C3D12","energy":-521.88449079,"energy_per_atom":-6.523556134874999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-488.90849079,"band_gap":2.0979,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001065,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.762000Z","spacegroup":230},{"id":"mp-560103","created_at":"2022-09-04T14:48:07.246955Z","structure_string":"Er12 Fe20 O48\n1.0\n-6.239212 6.239212 6.239212\n6.239212 -6.239212 6.239212\n6.239212 6.239212 -6.239212\nEr Fe O\n12 20 48\ndirect\n0.750000 0.125000 0.375000 Er\n0.375000 0.125000 0.250000 Er\n0.875000 0.625000 0.250000 Er\n0.250000 0.875000 0.625000 Er\n0.375000 0.750000 0.125000 Er\n0.750000 0.625000 0.875000 Er\n0.250000 0.375000 0.125000 Er\n0.125000 0.250000 0.375000 Er\n0.875000 0.750000 0.625000 Er\n0.125000 0.375000 0.750000 Er\n0.625000 0.250000 0.875000 Er\n0.625000 0.875000 0.750000 Er\n0.000000 0.500000 0.000000 Fe\n0.125000 0.750000 0.875000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.375000 0.625000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.625000 0.375000 0.250000 Fe\n0.750000 0.875000 0.125000 Fe\n0.500000 0.500000 0.000000 Fe\n0.125000 0.875000 0.250000 Fe\n0.250000 0.625000 0.375000 Fe\n0.250000 0.125000 0.875000 Fe\n0.375000 0.625000 0.750000 Fe\n0.625000 0.750000 0.375000 Fe\n0.000000 0.500000 0.500000 Fe\n0.375000 0.250000 0.625000 Fe\n0.875000 0.125000 0.750000 Fe\n0.000000 0.000000 0.500000 Fe\n0.875000 0.250000 0.125000 Fe\n0.176764 0.466848 0.593155 O\n0.416392 0.093155 0.626308 O\n0.966848 0.790084 0.873692 O\n0.290084 0.323236 0.916392 O\n0.406845 0.823236 0.533152 O\n0.823236 0.790084 0.416392 O\n0.323236 0.906845 0.033152 O\n0.533152 0.626308 0.709916 O\n0.416392 0.823236 0.790084 O\n0.676764 0.093155 0.966848 O\n0.373692 0.583608 0.906845 O\n0.033152 0.209916 0.126308 O\n0.916392 0.126308 0.593155 O\n0.709916 0.533152 0.626308 O\n0.593155 0.916392 0.126308 O\n0.533152 0.406845 0.823236 O\n0.323236 0.916392 0.290084 O\n0.083608 0.873692 0.406845 O\n0.676764 0.083608 0.709916 O\n0.966848 0.676764 0.093155 O\n0.126308 0.033152 0.209916 O\n0.209916 0.583608 0.176764 O\n0.093155 0.626308 0.416392 O\n0.466848 0.373692 0.290084 O\n0.176764 0.209916 0.583608 O\n0.593155 0.176764 0.466848 O\n0.126308 0.593155 0.916392 O\n0.823236 0.533152 0.406845 O\n0.290084 0.466848 0.373692 O\n0.209916 0.126308 0.033152 O\n0.873692 0.406845 0.083608 O\n0.790084 0.873692 0.966848 O\n0.916392 0.290084 0.323236 O\n0.709916 0.676764 0.083608 O\n0.406845 0.083608 0.873692 O\n0.033152 0.323236 0.906845 O\n0.873692 0.966848 0.790084 O\n0.583608 0.176764 0.209916 O\n0.906845 0.373692 0.583608 O\n0.093155 0.966848 0.676764 O\n0.583608 0.906845 0.373692 O\n0.626308 0.416392 0.093155 O\n0.906845 0.033152 0.323236 O\n0.466848 0.593155 0.176764 O\n0.083608 0.709916 0.676764 O\n0.373692 0.290084 0.466848 O\n0.626308 0.709916 0.533152 O\n0.790084 0.416392 0.823236 O\n","nsites":80,"nelements":3,"elements":["Er","Fe","O"],"chemical_system":"Er-Fe-O","density":6.652277979886625,"density_atomic":0.0823456700557288,"volume":971.5143485487296,"volume_molar":7.31324519665019,"formula_full":"Er12 Fe20 O48","formula_reduced":"Er3Fe5O12","formula_anonymous":"A3B5C12","energy":-665.9528936699999,"energy_per_atom":-8.324411170874999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-587.85689367,"band_gap":1.3963,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":100.0016763,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.667000Z","spacegroup":230},{"id":"mp-6008","created_at":"2022-09-04T14:48:01.382462Z","structure_string":"Ca12 Al8 Si12 O48\n1.0\n-5.984495 5.984495 5.984495\n5.984495 -5.984495 5.984495\n5.984495 5.984495 -5.984495\nCa Al Si O\n12 8 12 48\ndirect\n0.875000 0.750000 0.625000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.250000 0.875000 Ca\n0.125000 0.250000 0.375000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.750000 0.125000 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.804024 0.417303 0.810772 O\n0.810772 0.804024 0.417303 O\n0.506748 0.613279 0.695976 O\n0.393469 0.082697 0.886721 O\n0.613279 0.417303 0.106531 O\n0.689228 0.106531 0.993252 O\n0.810772 0.506748 0.393469 O\n0.417303 0.810772 0.804024 O\n0.886721 0.993252 0.804024 O\n0.393469 0.810772 0.506748 O\n0.417303 0.106531 0.613279 O\n0.082697 0.695976 0.689228 O\n0.695976 0.689228 0.082697 O\n0.506748 0.393469 0.810772 O\n0.804024 0.886721 0.993252 O\n0.993252 0.804024 0.886721 O\n0.106531 0.613279 0.417303 O\n0.695976 0.506748 0.613279 O\n0.106531 0.993252 0.689228 O\n0.113279 0.006748 0.195976 O\n0.886721 0.393469 0.082697 O\n0.082697 0.886721 0.393469 O\n0.993252 0.689228 0.106531 O\n0.689228 0.082697 0.695976 O\n0.195976 0.582697 0.189228 O\n0.189228 0.195976 0.582697 O\n0.493252 0.386721 0.304024 O\n0.606531 0.917303 0.113279 O\n0.386721 0.582697 0.893469 O\n0.310772 0.893469 0.006748 O\n0.189228 0.493252 0.606531 O\n0.582697 0.189228 0.195976 O\n0.310772 0.917303 0.304024 O\n0.006748 0.310772 0.893469 O\n0.917303 0.113279 0.606531 O\n0.386721 0.304024 0.493252 O\n0.113279 0.606531 0.917303 O\n0.893469 0.006748 0.310772 O\n0.304024 0.493252 0.386721 O\n0.893469 0.386721 0.582697 O\n0.006748 0.195976 0.113279 O\n0.195976 0.113279 0.006748 O\n0.493252 0.606531 0.189228 O\n0.304024 0.310772 0.917303 O\n0.917303 0.304024 0.310772 O\n0.582697 0.893469 0.386721 O\n0.606531 0.189228 0.493252 O\n0.613279 0.695976 0.506748 O\n","nsites":80,"nelements":4,"elements":["Ca","Al","Si","O"],"chemical_system":"Al-Ca-O-Si","density":3.4898733825729913,"density_atomic":0.0933141426614841,"volume":857.3191342518803,"volume_molar":6.453620628382701,"formula_full":"Ca12 Al8 Si12 O48","formula_reduced":"Ca3Al2(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-632.28830535,"energy_per_atom":-7.903603816875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-599.31230535,"band_gap":4.8673,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001371,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.911000Z","spacegroup":230},{"id":"mp-558501","created_at":"2022-09-04T14:48:01.730532Z","structure_string":"K8 Bi48 I8 O72\n1.0\n-8.815366 8.815366 8.815366\n8.815366 -8.815366 8.815366\n8.815366 8.815366 -8.815366\nK Bi I O\n8 48 8 72\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.739511 0.250000 0.989511 Bi\n0.019590 0.480410 0.250000 Bi\n0.989511 0.750000 0.739511 Bi\n0.269590 0.230410 0.750000 Bi\n0.760489 0.750000 0.510489 Bi\n0.980410 0.960820 0.230410 Bi\n0.250000 0.760489 0.510489 Bi\n0.250000 0.730410 0.769590 Bi\n0.230410 0.980410 0.960820 Bi\n0.480410 0.730410 0.460820 Bi\n0.750000 0.010489 0.260489 Bi\n0.489511 0.750000 0.239511 Bi\n0.750000 0.980410 0.519590 Bi\n0.250000 0.260489 0.010489 Bi\n0.519590 0.269590 0.539180 Bi\n0.260489 0.010489 0.250000 Bi\n0.760489 0.510489 0.250000 Bi\n0.239511 0.250000 0.489511 Bi\n0.269590 0.539180 0.519590 Bi\n0.489511 0.239511 0.250000 Bi\n0.980410 0.519590 0.750000 Bi\n0.239511 0.489511 0.750000 Bi\n0.960820 0.230410 0.980410 Bi\n0.250000 0.489511 0.239511 Bi\n0.730410 0.460820 0.480410 Bi\n0.510489 0.760489 0.750000 Bi\n0.730410 0.769590 0.250000 Bi\n0.519590 0.750000 0.980410 Bi\n0.539180 0.519590 0.269590 Bi\n0.989511 0.739511 0.250000 Bi\n0.250000 0.989511 0.739511 Bi\n0.769590 0.250000 0.730410 Bi\n0.750000 0.510489 0.760489 Bi\n0.019590 0.039180 0.769590 Bi\n0.460820 0.480410 0.730410 Bi\n0.230410 0.750000 0.269590 Bi\n0.750000 0.239511 0.489511 Bi\n0.260489 0.750000 0.010489 Bi\n0.480410 0.250000 0.019590 Bi\n0.750000 0.739511 0.989511 Bi\n0.510489 0.250000 0.760489 Bi\n0.750000 0.269590 0.230410 Bi\n0.039180 0.769590 0.019590 Bi\n0.769590 0.019590 0.039180 Bi\n0.010489 0.260489 0.750000 Bi\n0.739511 0.989511 0.750000 Bi\n0.010489 0.250000 0.260489 Bi\n0.250000 0.019590 0.480410 Bi\n0.250000 0.250000 0.250000 I\n0.250000 0.500000 0.000000 I\n0.500000 0.000000 0.750000 I\n0.000000 0.250000 0.500000 I\n0.750000 0.750000 0.750000 I\n0.000000 0.750000 0.500000 I\n0.750000 0.500000 0.000000 I\n0.500000 0.000000 0.250000 I\n0.710809 0.605405 0.355405 O\n0.062447 0.714811 0.150585 O\n0.911862 0.349415 0.064226 O\n0.437553 0.588138 0.652364 O\n0.289191 0.394595 0.644595 O\n0.644595 0.855405 0.250000 O\n0.411862 0.347636 0.562447 O\n0.355405 0.710809 0.605405 O\n0.355405 0.144595 0.750000 O\n0.088138 0.937553 0.152364 O\n0.349415 0.785189 0.437553 O\n0.214811 0.152364 0.564226 O\n0.347636 0.285189 0.935774 O\n0.714811 0.064226 0.652364 O\n0.650585 0.214811 0.562447 O\n0.152364 0.088138 0.937553 O\n0.588138 0.435774 0.150585 O\n0.564226 0.214811 0.152364 O\n0.064226 0.652364 0.714811 O\n0.935774 0.088138 0.650585 O\n0.144595 0.750000 0.355405 O\n0.937553 0.152364 0.088138 O\n0.347636 0.562447 0.411862 O\n0.564226 0.849415 0.411862 O\n0.750000 0.355405 0.144595 O\n0.650585 0.935774 0.088138 O\n0.894595 0.789191 0.144595 O\n0.652364 0.714811 0.064226 O\n0.937553 0.285189 0.849415 O\n0.435774 0.150585 0.588138 O\n0.250000 0.644595 0.855405 O\n0.349415 0.064226 0.911862 O\n0.150585 0.062447 0.714811 O\n0.437553 0.349415 0.785189 O\n0.214811 0.562447 0.650585 O\n0.789191 0.144595 0.894595 O\n0.847636 0.911862 0.062447 O\n0.105405 0.394595 0.250000 O\n0.785189 0.437553 0.349415 O\n0.605405 0.355405 0.710809 O\n0.855405 0.105405 0.210809 O\n0.394595 0.644595 0.289191 O\n0.849415 0.937553 0.285189 O\n0.644595 0.289191 0.394595 O\n0.714811 0.150585 0.062447 O\n0.152364 0.564226 0.214811 O\n0.849415 0.411862 0.564226 O\n0.855405 0.250000 0.644595 O\n0.394595 0.250000 0.105405 O\n0.847636 0.435774 0.785189 O\n0.785189 0.847636 0.435774 O\n0.064226 0.911862 0.349415 O\n0.435774 0.785189 0.847636 O\n0.144595 0.894595 0.789191 O\n0.935774 0.347636 0.285189 O\n0.562447 0.650585 0.214811 O\n0.894595 0.605405 0.750000 O\n0.062447 0.847636 0.911862 O\n0.750000 0.894595 0.605405 O\n0.411862 0.564226 0.849415 O\n0.210809 0.855405 0.105405 O\n0.562447 0.411862 0.347636 O\n0.088138 0.650585 0.935774 O\n0.285189 0.849415 0.937553 O\n0.652364 0.437553 0.588138 O\n0.250000 0.105405 0.394595 O\n0.105405 0.210809 0.855405 O\n0.911862 0.062447 0.847636 O\n0.285189 0.935774 0.347636 O\n0.150585 0.588138 0.435774 O\n0.588138 0.652364 0.437553 O\n0.605405 0.750000 0.894595 O\n","nsites":136,"nelements":4,"elements":["K","Bi","I","O"],"chemical_system":"Bi-I-K-O","density":7.581609471931315,"density_atomic":0.04963155387147596,"volume":2740.192264626261,"volume_molar":12.133693769884202,"formula_full":"K8 Bi48 I8 O72","formula_reduced":"KBi6IO9","formula_anonymous":"ABC6D9","energy":-788.9934868399998,"energy_per_atom":-5.80142269735294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-736.49748684,"band_gap":2.2881000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.2271749,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.109000Z","spacegroup":230},{"id":"mp-781609","created_at":"2022-09-04T14:47:58.789199Z","structure_string":"Ho12 Fe20 O48\n1.0\n-6.245117 6.245117 6.245117\n6.245117 -6.245117 6.245117\n6.245117 6.245117 -6.245117\nHo Fe O\n12 20 48\ndirect\n0.750000 0.125000 0.375000 Ho\n0.375000 0.125000 0.250000 Ho\n0.875000 0.625000 0.250000 Ho\n0.250000 0.375000 0.125000 Ho\n0.625000 0.250000 0.875000 Ho\n0.375000 0.750000 0.125000 Ho\n0.125000 0.250000 0.375000 Ho\n0.875000 0.750000 0.625000 Ho\n0.750000 0.625000 0.875000 Ho\n0.625000 0.875000 0.750000 Ho\n0.125000 0.375000 0.750000 Ho\n0.250000 0.875000 0.625000 Ho\n0.875000 0.250000 0.125000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.625000 0.375000 0.250000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.875000 0.125000 0.750000 Fe\n0.750000 0.875000 0.125000 Fe\n0.750000 0.375000 0.625000 Fe\n0.625000 0.750000 0.375000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.375000 0.250000 0.625000 Fe\n0.250000 0.625000 0.375000 Fe\n0.250000 0.125000 0.875000 Fe\n0.375000 0.625000 0.750000 Fe\n0.125000 0.875000 0.250000 Fe\n0.000000 0.500000 0.500000 Fe\n0.125000 0.750000 0.875000 Fe\n0.907035 0.032614 0.323033 O\n0.874421 0.407035 0.084003 O\n0.915997 0.290418 0.323033 O\n0.915997 0.125579 0.592965 O\n0.967386 0.676967 0.092965 O\n0.584003 0.176967 0.209582 O\n0.625579 0.415997 0.092965 O\n0.209582 0.125579 0.032614 O\n0.709582 0.676967 0.084003 O\n0.592965 0.176967 0.467386 O\n0.907035 0.374421 0.584003 O\n0.125579 0.032614 0.209582 O\n0.823032 0.532614 0.407035 O\n0.676967 0.084003 0.709582 O\n0.467386 0.374421 0.290418 O\n0.467386 0.592965 0.176968 O\n0.415997 0.092965 0.625579 O\n0.032614 0.209582 0.125579 O\n0.823032 0.790418 0.415997 O\n0.374421 0.290418 0.467386 O\n0.676967 0.092965 0.967386 O\n0.709582 0.532614 0.625579 O\n0.790418 0.415997 0.823033 O\n0.592965 0.915997 0.125579 O\n0.290418 0.467386 0.374421 O\n0.407035 0.084003 0.874421 O\n0.209582 0.584003 0.176967 O\n0.176967 0.209582 0.584003 O\n0.625579 0.709582 0.532614 O\n0.323032 0.907035 0.032614 O\n0.584003 0.907035 0.374421 O\n0.532614 0.407035 0.823033 O\n0.967386 0.790418 0.874421 O\n0.532614 0.625579 0.709582 O\n0.323032 0.915997 0.290418 O\n0.176967 0.467386 0.592965 O\n0.874421 0.967386 0.790418 O\n0.407035 0.823032 0.532614 O\n0.290418 0.323032 0.915997 O\n0.092965 0.625579 0.415997 O\n0.790418 0.874421 0.967386 O\n0.374421 0.584003 0.907035 O\n0.415997 0.823032 0.790418 O\n0.032614 0.323032 0.907035 O\n0.084003 0.874421 0.407035 O\n0.084003 0.709582 0.676967 O\n0.125579 0.592965 0.915997 O\n0.092965 0.967386 0.676967 O\n","nsites":80,"nelements":3,"elements":["Ho","Fe","O"],"chemical_system":"Fe-Ho-O","density":6.585798286672425,"density_atomic":0.08211230778696879,"volume":974.2753815609599,"volume_molar":7.3340293584535114,"formula_full":"Ho12 Fe20 O48","formula_reduced":"Ho3Fe5O12","formula_anonymous":"A3B5C12","energy":-665.95284309,"energy_per_atom":-8.324410538625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-587.85684309,"band_gap":1.6689999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":100.0040753,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.616000Z","spacegroup":230},{"id":"mp-1209029","created_at":"2022-09-04T14:47:58.130127Z","structure_string":"Sr12 Yb8 O48\n1.0\n-7.339737 7.339737 7.339737\n7.339737 -7.339737 7.339737\n7.339737 7.339737 -7.339737\nSr Yb O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Sr\n0.750000 0.625000 0.875000 Sr\n0.750000 0.125000 0.375000 Sr\n0.125000 0.250000 0.375000 Sr\n0.375000 0.750000 0.125000 Sr\n0.250000 0.875000 0.625000 Sr\n0.875000 0.750000 0.625000 Sr\n0.625000 0.250000 0.875000 Sr\n0.375000 0.125000 0.250000 Sr\n0.625000 0.875000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.875000 0.625000 0.250000 Sr\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.422256 0.359665 0.294073 O\n0.577744 0.640335 0.705927 O\n0.565591 0.128183 0.205927 O\n0.934409 0.140335 0.562591 O\n0.294073 0.422256 0.359665 O\n0.371817 0.934409 0.294073 O\n0.434409 0.871817 0.794073 O\n0.065591 0.859665 0.437409 O\n0.705927 0.577744 0.640335 O\n0.628183 0.065591 0.705927 O\n0.077744 0.371817 0.937409 O\n0.205927 0.565591 0.128183 O\n0.140335 0.077744 0.205927 O\n0.922256 0.628183 0.062591 O\n0.794073 0.434409 0.871817 O\n0.859665 0.922256 0.794073 O\n0.562591 0.934409 0.140335 O\n0.128183 0.422256 0.562591 O\n0.437409 0.065591 0.859665 O\n0.871817 0.577744 0.437409 O\n0.937409 0.077744 0.371817 O\n0.359665 0.565591 0.937409 O\n0.062591 0.922256 0.628183 O\n0.640335 0.434409 0.062591 O\n0.359665 0.294073 0.422256 O\n0.565591 0.937409 0.359665 O\n0.640335 0.705927 0.577744 O\n0.434409 0.062591 0.640335 O\n0.140335 0.562591 0.934409 O\n0.077744 0.205927 0.140335 O\n0.859665 0.437409 0.065591 O\n0.922256 0.794073 0.859665 O\n0.371817 0.937409 0.077744 O\n0.934409 0.294073 0.371817 O\n0.628183 0.062591 0.922256 O\n0.065591 0.705927 0.628183 O\n0.128183 0.205927 0.565591 O\n0.422256 0.562591 0.128183 O\n0.871817 0.794073 0.434409 O\n0.577744 0.437409 0.871817 O\n0.294073 0.371817 0.934409 O\n0.705927 0.628183 0.065591 O\n0.205927 0.140335 0.077744 O\n0.794073 0.859665 0.922256 O\n0.937409 0.359665 0.565591 O\n0.062591 0.640335 0.434409 O\n0.562591 0.128183 0.422256 O\n0.437409 0.871817 0.577744 O\n","nsites":68,"nelements":3,"elements":["Sr","Yb","O"],"chemical_system":"O-Sr-Yb","density":3.3635948713336217,"density_atomic":0.04299395783146209,"volume":1581.617590698733,"volume_molar":14.006946705411526,"formula_full":"Sr12 Yb8 O48","formula_reduced":"Sr3Yb2O12","formula_anonymous":"A2B3C12","energy":-367.89222891,"energy_per_atom":-5.410179836911764,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.91622891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9879175,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.009000Z","spacegroup":230},{"id":"mp-562499","created_at":"2022-09-04T14:47:56.026519Z","structure_string":"Yb12 Ga20 O48\n1.0\n-6.197928 6.197928 6.197928\n6.197928 -6.197928 6.197928\n6.197928 6.197928 -6.197928\nYb Ga O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Yb\n0.875000 0.625000 0.250000 Yb\n0.375000 0.125000 0.250000 Yb\n0.750000 0.625000 0.875000 Yb\n0.125000 0.375000 0.750000 Yb\n0.875000 0.750000 0.625000 Yb\n0.250000 0.875000 0.625000 Yb\n0.750000 0.125000 0.375000 Yb\n0.375000 0.750000 0.125000 Yb\n0.625000 0.875000 0.750000 Yb\n0.125000 0.250000 0.375000 Yb\n0.625000 0.250000 0.875000 Yb\n0.000000 0.500000 0.500000 Ga\n0.250000 0.125000 0.875000 Ga\n0.375000 0.625000 0.750000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.250000 0.625000 0.375000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.625000 0.750000 0.375000 Ga\n0.000000 0.000000 0.500000 Ga\n0.125000 0.750000 0.875000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.875000 0.125000 0.750000 Ga\n0.500000 0.000000 0.500000 Ga\n0.125000 0.875000 0.250000 Ga\n0.875000 0.250000 0.125000 Ga\n0.000000 0.500000 0.000000 Ga\n0.625000 0.375000 0.250000 Ga\n0.880680 0.973793 0.795593 O\n0.906887 0.380680 0.585086 O\n0.585086 0.906887 0.380680 O\n0.678200 0.093113 0.973793 O\n0.678200 0.085086 0.704407 O\n0.880680 0.406887 0.085086 O\n0.914914 0.119320 0.593113 O\n0.085086 0.704407 0.678200 O\n0.380680 0.295593 0.473793 O\n0.526207 0.406887 0.821800 O\n0.295593 0.473793 0.380680 O\n0.406887 0.821800 0.526207 O\n0.795593 0.880680 0.973793 O\n0.321800 0.906887 0.026207 O\n0.973793 0.678200 0.093113 O\n0.295593 0.321800 0.914914 O\n0.526207 0.619320 0.704407 O\n0.973793 0.795593 0.880680 O\n0.178200 0.204407 0.585086 O\n0.085086 0.880680 0.406887 O\n0.321800 0.914914 0.295593 O\n0.704407 0.678200 0.085086 O\n0.906887 0.026207 0.321800 O\n0.119320 0.026207 0.204407 O\n0.821800 0.795593 0.414914 O\n0.585086 0.178200 0.204407 O\n0.473793 0.380680 0.295593 O\n0.380680 0.585086 0.906887 O\n0.704407 0.526207 0.619320 O\n0.026207 0.321800 0.906887 O\n0.593113 0.178200 0.473793 O\n0.914914 0.295593 0.321800 O\n0.619320 0.414914 0.093113 O\n0.204407 0.119320 0.026207 O\n0.093113 0.973793 0.678200 O\n0.821800 0.526207 0.406887 O\n0.406887 0.085086 0.880680 O\n0.026207 0.204407 0.119320 O\n0.178200 0.473793 0.593113 O\n0.414914 0.821800 0.795593 O\n0.473793 0.593113 0.178200 O\n0.119320 0.593113 0.914914 O\n0.795593 0.414914 0.821800 O\n0.619320 0.704407 0.526207 O\n0.204407 0.585086 0.178200 O\n0.414914 0.093113 0.619320 O\n0.593113 0.914914 0.119320 O\n0.093113 0.619320 0.414914 O\n","nsites":80,"nelements":3,"elements":["Yb","Ga","O"],"chemical_system":"Ga-O-Yb","density":7.391010927593447,"density_atomic":0.0840021525905945,"volume":952.3565472173077,"volume_molar":7.1690314763127665,"formula_full":"Yb12 Ga20 O48","formula_reduced":"Yb3Ga5O12","formula_anonymous":"A3B5C12","energy":-517.33818068,"energy_per_atom":-6.466727258500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-484.3621806800001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9686382,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.313000Z","spacegroup":230},{"id":"mp-779404","created_at":"2022-09-04T14:47:55.321671Z","structure_string":"Li12 Cr8 As12 O48\n1.0\n-6.068257 6.068257 6.068257\n6.068257 -6.068257 6.068257\n6.068257 6.068257 -6.068257\nLi Cr As O\n12 8 12 48\ndirect\n0.750000 0.125000 0.375000 Li\n0.875000 0.625000 0.250000 Li\n0.375000 0.125000 0.250000 Li\n0.250000 0.375000 0.125000 Li\n0.875000 0.750000 0.625000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.625000 0.250000 0.875000 Li\n0.750000 0.625000 0.875000 Li\n0.625000 0.875000 0.750000 Li\n0.125000 0.375000 0.750000 Li\n0.250000 0.875000 0.625000 Li\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.875000 0.250000 0.125000 As\n0.625000 0.375000 0.250000 As\n0.875000 0.125000 0.750000 As\n0.750000 0.375000 0.625000 As\n0.750000 0.875000 0.125000 As\n0.625000 0.750000 0.375000 As\n0.375000 0.250000 0.625000 As\n0.250000 0.625000 0.375000 As\n0.250000 0.125000 0.875000 As\n0.125000 0.875000 0.250000 As\n0.375000 0.625000 0.750000 As\n0.125000 0.750000 0.875000 As\n0.897189 0.017501 0.312558 O\n0.879688 0.397189 0.084631 O\n0.915369 0.295057 0.312558 O\n0.915369 0.120312 0.602811 O\n0.584631 0.187442 0.204943 O\n0.982499 0.687442 0.102811 O\n0.620312 0.415369 0.102811 O\n0.204943 0.120312 0.017501 O\n0.704943 0.687442 0.084631 O\n0.602811 0.187442 0.482499 O\n0.897189 0.379688 0.584631 O\n0.687442 0.084631 0.704943 O\n0.120312 0.017501 0.204943 O\n0.812558 0.517501 0.397189 O\n0.482499 0.379688 0.295057 O\n0.482499 0.602811 0.187442 O\n0.017501 0.204943 0.120312 O\n0.415369 0.102811 0.620312 O\n0.687442 0.102811 0.982499 O\n0.379688 0.295057 0.482499 O\n0.812558 0.795057 0.415369 O\n0.704943 0.517501 0.620312 O\n0.602811 0.915369 0.120312 O\n0.795057 0.415369 0.812558 O\n0.295057 0.482499 0.379688 O\n0.397189 0.084631 0.879688 O\n0.204943 0.584631 0.187442 O\n0.187442 0.204943 0.584631 O\n0.620312 0.704943 0.517501 O\n0.312558 0.897189 0.017501 O\n0.584631 0.897189 0.379688 O\n0.982499 0.795057 0.879688 O\n0.517501 0.397189 0.812558 O\n0.517501 0.620312 0.704943 O\n0.879688 0.982499 0.795057 O\n0.312558 0.915369 0.295057 O\n0.187442 0.482499 0.602811 O\n0.102811 0.620312 0.415369 O\n0.397189 0.812558 0.517501 O\n0.295057 0.312558 0.915369 O\n0.795057 0.879688 0.982499 O\n0.379688 0.584631 0.897189 O\n0.084631 0.879688 0.397189 O\n0.415369 0.812558 0.795057 O\n0.017501 0.312558 0.897189 O\n0.084631 0.704943 0.687442 O\n0.120312 0.602811 0.915369 O\n0.102811 0.982499 0.687442 O\n","nsites":80,"nelements":4,"elements":["Li","Cr","As","O"],"chemical_system":"As-Cr-Li-O","density":4.024519583394799,"density_atomic":0.0895031044061133,"volume":893.8237453419079,"volume_molar":6.728415511349204,"formula_full":"Li12 Cr8 As12 O48","formula_reduced":"Li3Cr2(AsO4)3","formula_anonymous":"A2B3C3D12","energy":-559.57441969,"energy_per_atom":-6.994680246125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-510.60641969000005,"band_gap":2.6701999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":24.0028743,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.183000Z","spacegroup":230}]}