{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=30","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=28","results":[{"id":"mp-757914","created_at":"2022-09-04T14:44:21.201621Z","structure_string":"Li12 Ti8 P12 O48\n1.0\n-5.961372 5.961372 5.961372\n5.961372 -5.961372 5.961372\n5.961372 5.961372 -5.961372\nLi Ti P 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\n0.625000 0.250000 0.875000 Li\n0.125000 0.250000 0.375000 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 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\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\n0.886904 0.003028 0.297754 O\n0.883876 0.386904 0.089150 O\n0.910850 0.294726 0.297754 O\n0.910850 0.116124 0.613096 O\n0.996972 0.702246 0.113096 O\n0.589150 0.202246 0.205274 O\n0.616124 0.410850 0.113096 O\n0.205274 0.116124 0.003028 O\n0.705274 0.702246 0.089150 O\n0.886904 0.383876 0.589150 O\n0.613096 0.202246 0.496972 O\n0.702246 0.089150 0.705274 O\n0.116124 0.003028 0.205274 O\n0.797754 0.503028 0.386904 O\n0.496972 0.383876 0.294726 O\n0.496972 0.613096 0.202246 O\n0.410850 0.113096 0.616124 O\n0.003028 0.205274 0.116124 O\n0.702246 0.113096 0.996972 O\n0.383876 0.294726 0.496972 O\n0.797754 0.794726 0.410850 O\n0.705274 0.503028 0.616124 O\n0.613096 0.910850 0.116124 O\n0.794726 0.410850 0.797754 O\n0.386904 0.089150 0.883876 O\n0.205274 0.589150 0.202246 O\n0.294726 0.496972 0.383876 O\n0.202246 0.205274 0.589150 O\n0.297754 0.886904 0.003028 O\n0.616124 0.705274 0.503028 O\n0.589150 0.886904 0.383876 O\n0.996972 0.794726 0.883876 O\n0.503028 0.386904 0.797754 O\n0.503028 0.616124 0.705274 O\n0.883876 0.996972 0.794726 O\n0.297754 0.910850 0.294726 O\n0.202246 0.496972 0.613096 O\n0.113096 0.616124 0.410850 O\n0.386904 0.797754 0.503028 O\n0.294726 0.297754 0.910850 O\n0.794726 0.883876 0.996972 O\n0.383876 0.589150 0.886904 O\n0.089150 0.883876 0.386904 O\n0.410850 0.797754 0.794726 O\n0.003028 0.297754 0.886904 O\n0.089150 0.705274 0.702246 O\n0.116124 0.613096 0.910850 O\n0.113096 0.996972 0.702246 O\n","nsites":80,"nelements":4,"elements":["Li","Ti","P","O"],"chemical_system":"Li-O-P-Ti","density":3.1467678183530055,"density_atomic":0.09440420198882626,"volume":847.4199062608341,"volume_molar":6.3791024479109355,"formula_full":"Li12 Ti8 P12 O48","formula_reduced":"Li3Ti2(PO4)3","formula_anonymous":"A2B3C3D12","energy":-615.37318981,"energy_per_atom":-7.692164872625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-582.39718981,"band_gap":0.0102000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0566796,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.845000Z","spacegroup":230},{"id":"mp-5802","created_at":"2022-09-04T14:44:21.250557Z","structure_string":"Mn20 Si12 O48\n1.0\n-5.994759 5.994759 5.994759\n5.994759 -5.994759 5.994759\n5.994759 5.994759 -5.994759\nMn Si O\n20 12 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.875000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.625000 0.875000 0.750000 Mn\n0.875000 0.625000 0.250000 Mn\n0.625000 0.250000 0.875000 Mn\n0.875000 0.750000 0.625000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.375000 0.125000 0.250000 Mn\n0.125000 0.375000 0.750000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.250000 0.375000 Mn\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.694018 0.088809 0.711299 O\n0.105209 0.982719 0.694018 O\n0.711299 0.517281 0.622490 O\n0.622490 0.711299 0.517281 O\n0.877510 0.394791 0.088809 O\n0.088809 0.877510 0.394791 O\n0.982719 0.694018 0.105209 O\n0.411191 0.105209 0.622490 O\n0.394791 0.805982 0.517281 O\n0.982719 0.788701 0.877510 O\n0.105209 0.622490 0.411191 O\n0.517281 0.394791 0.805982 O\n0.788701 0.877510 0.982719 O\n0.711299 0.694018 0.088809 O\n0.088809 0.711299 0.694018 O\n0.622490 0.411191 0.105209 O\n0.788701 0.411191 0.805982 O\n0.805982 0.517281 0.394791 O\n0.805982 0.788701 0.411191 O\n0.877510 0.982719 0.788701 O\n0.411191 0.805982 0.788701 O\n0.394791 0.088809 0.877510 O\n0.694018 0.105209 0.982719 O\n0.517281 0.622490 0.711299 O\n0.305982 0.911191 0.288701 O\n0.894791 0.017281 0.305982 O\n0.288701 0.482719 0.377510 O\n0.377510 0.288701 0.482719 O\n0.122490 0.605209 0.911191 O\n0.911191 0.122490 0.605209 O\n0.017281 0.305982 0.894791 O\n0.588809 0.894791 0.377510 O\n0.605209 0.194018 0.482719 O\n0.017281 0.211299 0.122490 O\n0.894791 0.377510 0.588809 O\n0.482719 0.605209 0.194018 O\n0.211299 0.122490 0.017281 O\n0.288701 0.305982 0.911191 O\n0.911191 0.288701 0.305982 O\n0.377510 0.588809 0.894791 O\n0.211299 0.588809 0.194018 O\n0.194018 0.482719 0.605209 O\n0.194018 0.211299 0.588809 O\n0.122490 0.017281 0.211299 O\n0.588809 0.194018 0.211299 O\n0.605209 0.911191 0.122490 O\n0.305982 0.894791 0.017281 O\n0.482719 0.377510 0.288701 O\n","nsites":80,"nelements":3,"elements":["Mn","Si","O"],"chemical_system":"Mn-O-Si","density":4.246565651204336,"density_atomic":0.09283565598954333,"volume":861.7378651259912,"volume_molar":6.486883402513268,"formula_full":"Mn20 Si12 O48","formula_reduced":"Mn5(SiO4)3","formula_anonymous":"A3B5C12","energy":-688.29597199,"energy_per_atom":-8.603699649875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-621.95997199,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":92.0010106,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.436000Z","spacegroup":230},{"id":"mp-1211091","created_at":"2022-09-04T14:44:22.009492Z","structure_string":"Lu12 Mg8 Si12 O48\n1.0\n-6.029281 6.029281 6.029281\n6.029281 -6.029281 6.029281\n6.029281 6.029281 -6.029281\nLu Mg Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Lu\n0.750000 0.625000 0.875000 Lu\n0.750000 0.125000 0.375000 Lu\n0.125000 0.250000 0.375000 Lu\n0.375000 0.750000 0.125000 Lu\n0.250000 0.875000 0.625000 Lu\n0.875000 0.750000 0.625000 Lu\n0.625000 0.250000 0.875000 Lu\n0.375000 0.125000 0.250000 Lu\n0.625000 0.875000 0.750000 Lu\n0.125000 0.375000 0.750000 Lu\n0.875000 0.625000 0.250000 Lu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250000 0.625000 0.375000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.875000 0.125000 0.750000 Si\n0.125000 0.875000 0.250000 Si\n0.482914 0.378184 0.286446 O\n0.517086 0.621816 0.713554 O\n0.591738 0.196468 0.213554 O\n0.908262 0.121816 0.604730 O\n0.286446 0.482914 0.378184 O\n0.303532 0.908262 0.286446 O\n0.408262 0.803532 0.786446 O\n0.091738 0.878184 0.395270 O\n0.713554 0.517086 0.621816 O\n0.696468 0.091738 0.713554 O\n0.017086 0.303532 0.895270 O\n0.213554 0.591738 0.196468 O\n0.121816 0.017086 0.213554 O\n0.982914 0.696468 0.104730 O\n0.786446 0.408262 0.803532 O\n0.878184 0.982914 0.786446 O\n0.604730 0.908262 0.121816 O\n0.196468 0.482914 0.604730 O\n0.395270 0.091738 0.878184 O\n0.803532 0.517086 0.395270 O\n0.895270 0.017086 0.303532 O\n0.378184 0.591738 0.895270 O\n0.104730 0.982914 0.696468 O\n0.621816 0.408262 0.104730 O\n0.378184 0.286446 0.482914 O\n0.591738 0.895270 0.378184 O\n0.621816 0.713554 0.517086 O\n0.408262 0.104730 0.621816 O\n0.121816 0.604730 0.908262 O\n0.017086 0.213554 0.121816 O\n0.878184 0.395270 0.091738 O\n0.982914 0.786446 0.878184 O\n0.303532 0.895270 0.017086 O\n0.908262 0.286446 0.303532 O\n0.696468 0.104730 0.982914 O\n0.091738 0.713554 0.696468 O\n0.196468 0.213554 0.591738 O\n0.482914 0.604730 0.196468 O\n0.803532 0.786446 0.408262 O\n0.517086 0.395270 0.803532 O\n0.286446 0.303532 0.908262 O\n0.713554 0.696468 0.091738 O\n0.213554 0.121816 0.017086 O\n0.786446 0.878184 0.982914 O\n0.895270 0.378184 0.591738 O\n0.104730 0.621816 0.408262 O\n0.604730 0.196468 0.482914 O\n0.395270 0.803532 0.517086 O\n","nsites":80,"nelements":4,"elements":["Lu","Mg","Si","O"],"chemical_system":"Lu-Mg-O-Si","density":6.437970166116768,"density_atomic":0.09125011503228374,"volume":876.7112235606112,"volume_molar":6.599597992692287,"formula_full":"Lu12 Mg8 Si12 O48","formula_reduced":"Lu3Mg2(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-649.52516702,"energy_per_atom":-8.11906458775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-616.54916702,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.2210876,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.696000Z","spacegroup":230},{"id":"mp-1157153","created_at":"2022-09-04T14:44:22.199235Z","structure_string":"Ca12 Si12 Ag8 O48\n1.0\n-6.245856 6.245856 6.245856\n6.245856 -6.245856 6.245856\n6.245856 6.245856 -6.245856\nCa Si Ag O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.250000 0.875000 0.625000 Ca\n0.125000 0.250000 0.375000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\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 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.595789 0.891964 0.376912 O\n0.376912 0.595789 0.891964 O\n0.281124 0.296175 0.904211 O\n0.484949 0.608036 0.203825 O\n0.296175 0.891964 0.015051 O\n0.123088 0.015051 0.218876 O\n0.376912 0.281124 0.484949 O\n0.891964 0.376912 0.595789 O\n0.203825 0.218876 0.595789 O\n0.484949 0.376912 0.281124 O\n0.891964 0.015051 0.296175 O\n0.608036 0.904211 0.123088 O\n0.904211 0.123088 0.608036 O\n0.281124 0.484949 0.376912 O\n0.595789 0.203825 0.218876 O\n0.218876 0.595789 0.203825 O\n0.015051 0.296175 0.891964 O\n0.904211 0.281124 0.296175 O\n0.015051 0.218876 0.123088 O\n0.796175 0.781124 0.404211 O\n0.203825 0.484949 0.608036 O\n0.608036 0.203825 0.484949 O\n0.218876 0.123088 0.015051 O\n0.123088 0.608036 0.904211 O\n0.404211 0.108036 0.623088 O\n0.623088 0.404211 0.108036 O\n0.718876 0.703825 0.095789 O\n0.515051 0.391964 0.796175 O\n0.703825 0.108036 0.984949 O\n0.876912 0.984949 0.781124 O\n0.623088 0.718876 0.515051 O\n0.108036 0.623088 0.404211 O\n0.876912 0.391964 0.095789 O\n0.781124 0.876912 0.984949 O\n0.391964 0.796175 0.515051 O\n0.703825 0.095789 0.718876 O\n0.796175 0.515051 0.391964 O\n0.984949 0.781124 0.876912 O\n0.095789 0.718876 0.703825 O\n0.984949 0.703825 0.108036 O\n0.781124 0.404211 0.796175 O\n0.404211 0.796175 0.781124 O\n0.718876 0.515051 0.623088 O\n0.095789 0.876912 0.391964 O\n0.391964 0.095789 0.876912 O\n0.108036 0.984949 0.703825 O\n0.515051 0.623088 0.718876 O\n0.296175 0.904211 0.281124 O\n","nsites":80,"nelements":4,"elements":["Ca","Si","Ag","O"],"chemical_system":"Ag-Ca-O-Si","density":4.172347729534849,"density_atomic":0.08208316503244975,"volume":974.6212876705447,"volume_molar":7.33663322755559,"formula_full":"Ca12 Si12 Ag8 O48","formula_reduced":"Ca3Si3(AgO6)2","formula_anonymous":"A2B3C3D12","energy":-555.5011435,"energy_per_atom":-6.94376429375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-522.5251435,"band_gap":0.1654,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0026381,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.616000Z","spacegroup":230},{"id":"mp-1208209","created_at":"2022-09-04T14:44:22.349471Z","structure_string":"Tm12 Fe20 O48\n1.0\n-6.226432 6.226432 6.226432\n6.226432 -6.226432 6.226432\n6.226432 6.226432 -6.226432\nTm Fe O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Tm\n0.750000 0.625000 0.875000 Tm\n0.750000 0.125000 0.375000 Tm\n0.125000 0.250000 0.375000 Tm\n0.375000 0.750000 0.125000 Tm\n0.250000 0.875000 0.625000 Tm\n0.875000 0.750000 0.625000 Tm\n0.625000 0.250000 0.875000 Tm\n0.375000 0.125000 0.250000 Tm\n0.625000 0.875000 0.750000 Tm\n0.125000 0.375000 0.750000 Tm\n0.875000 0.625000 0.250000 Tm\n0.250000 0.625000 0.375000 Fe\n0.750000 0.375000 0.625000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.250000 0.625000 Fe\n0.625000 0.750000 0.375000 Fe\n0.250000 0.125000 0.875000 Fe\n0.125000 0.750000 0.875000 Fe\n0.875000 0.250000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.375000 0.625000 0.750000 Fe\n0.875000 0.125000 0.750000 Fe\n0.125000 0.875000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.465978 0.372919 0.289414 O\n0.534022 0.627081 0.710586 O\n0.583505 0.176564 0.210586 O\n0.916495 0.127081 0.593059 O\n0.289414 0.465978 0.372919 O\n0.323436 0.916495 0.289414 O\n0.416495 0.823436 0.789414 O\n0.083505 0.872919 0.406941 O\n0.710586 0.534022 0.627081 O\n0.676564 0.083505 0.710586 O\n0.034022 0.323436 0.906941 O\n0.210586 0.583505 0.176564 O\n0.127081 0.034022 0.210586 O\n0.965978 0.676564 0.093059 O\n0.789414 0.416495 0.823436 O\n0.872919 0.965978 0.789414 O\n0.593059 0.916495 0.127081 O\n0.176564 0.465978 0.593059 O\n0.406941 0.083505 0.872919 O\n0.823436 0.534022 0.406941 O\n0.906941 0.034022 0.323436 O\n0.372919 0.583505 0.906941 O\n0.093059 0.965978 0.676564 O\n0.627081 0.416495 0.093059 O\n0.372919 0.289414 0.465978 O\n0.583505 0.906941 0.372919 O\n0.627081 0.710586 0.534022 O\n0.416495 0.093059 0.627081 O\n0.127081 0.593059 0.916495 O\n0.034022 0.210586 0.127081 O\n0.872919 0.406941 0.083505 O\n0.965978 0.789414 0.872919 O\n0.323436 0.906941 0.034022 O\n0.916495 0.289414 0.323436 O\n0.676564 0.093059 0.965978 O\n0.083505 0.710586 0.676564 O\n0.176564 0.210586 0.583505 O\n0.465978 0.593059 0.176564 O\n0.823436 0.789414 0.416495 O\n0.534022 0.406941 0.823436 O\n0.289414 0.323436 0.916495 O\n0.710586 0.676564 0.083505 O\n0.210586 0.127081 0.034022 O\n0.789414 0.872919 0.965978 O\n0.906941 0.372919 0.583505 O\n0.093059 0.627081 0.416495 O\n0.593059 0.176564 0.465978 O\n0.406941 0.823436 0.534022 O\n","nsites":80,"nelements":3,"elements":["Tm","Fe","O"],"chemical_system":"Fe-O-Tm","density":6.727896101076574,"density_atomic":0.08285376483053611,"volume":965.5566064333586,"volume_molar":7.268397244612011,"formula_full":"Tm12 Fe20 O48","formula_reduced":"Tm3Fe5O12","formula_anonymous":"A3B5C12","energy":-665.22598642,"energy_per_atom":-8.31532483025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-587.12998642,"band_gap":1.863,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":99.9719098,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.096000Z","spacegroup":230},{"id":"mp-1363886","created_at":"2022-09-04T14:44:22.738260Z","structure_string":"Mg12 Ge12 Mo8 O48\n1.0\n-6.180828 6.180828 6.180828\n6.180828 -6.180828 6.180828\n6.180828 6.180828 -6.180828\nMg Ge Mo O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.412895 0.810881 0.781216 O\n0.868321 0.397987 0.087105 O\n0.102013 0.970334 0.689119 O\n0.529666 0.631679 0.718784 O\n0.689119 0.087105 0.718784 O\n0.631679 0.718784 0.529666 O\n0.631679 0.412895 0.102013 O\n0.718784 0.529666 0.631679 O\n0.810881 0.529666 0.397987 O\n0.970334 0.781216 0.868321 O\n0.781216 0.868321 0.970334 O\n0.718784 0.689119 0.087105 O\n0.412895 0.102013 0.631679 O\n0.397987 0.810881 0.529666 O\n0.087105 0.718784 0.689119 O\n0.102013 0.631679 0.412895 O\n0.529666 0.397987 0.810881 O\n0.087105 0.868321 0.397987 O\n0.970334 0.689119 0.102013 O\n0.189119 0.470334 0.602013 O\n0.689119 0.102013 0.970334 O\n0.781216 0.412895 0.810881 O\n0.397987 0.087105 0.868321 O\n0.868321 0.970334 0.781216 O\n0.587105 0.189119 0.218784 O\n0.131679 0.602013 0.912895 O\n0.897987 0.029666 0.310881 O\n0.470334 0.368321 0.281216 O\n0.310881 0.912895 0.281216 O\n0.368321 0.281216 0.470334 O\n0.368321 0.587105 0.897987 O\n0.281216 0.470334 0.368321 O\n0.131679 0.029666 0.218784 O\n0.602013 0.912895 0.131679 O\n0.218784 0.587105 0.189119 O\n0.189119 0.218784 0.587105 O\n0.310881 0.897987 0.029666 O\n0.029666 0.310881 0.897987 O\n0.912895 0.131679 0.602013 O\n0.470334 0.602013 0.189119 O\n0.897987 0.368321 0.587105 O\n0.912895 0.281216 0.310881 O\n0.602013 0.189119 0.470334 O\n0.587105 0.897987 0.368321 O\n0.281216 0.310881 0.912895 O\n0.218784 0.131679 0.029666 O\n0.029666 0.218784 0.131679 O\n0.810881 0.781216 0.412895 O\n","nsites":80,"nelements":4,"elements":["Mg","Ge","Mo","O"],"chemical_system":"Ge-Mg-Mo-O","density":4.744875851230939,"density_atomic":0.08470128928318957,"volume":944.4956585315801,"volume_molar":7.109857253607588,"formula_full":"Mg12 Ge12 Mo8 O48","formula_reduced":"Mg3Ge3(MoO6)2","formula_anonymous":"A2B3C3D12","energy":-583.1010914899999,"energy_per_atom":-7.288763643624999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-524.50909149,"band_gap":2.2601,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0001419,"is_theoretical":true,"updated_at":"2021-11-28T01:36:36.850000Z","spacegroup":230},{"id":"mp-1182533","created_at":"2022-09-04T14:44:23.297595Z","structure_string":"Ca12 Al8 O48\n1.0\n-6.484497 6.484497 6.484497\n6.484497 -6.484497 6.484497\n6.484497 6.484497 -6.484497\nCa Al O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.250000 0.875000 0.625000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.045980 0.359815 0.923991 O\n0.935824 0.121988 0.576009 O\n0.564176 0.140185 0.186164 O\n0.454020 0.378012 0.313836 O\n0.359815 0.923991 0.045980 O\n0.121988 0.576009 0.935824 O\n0.140185 0.186164 0.564176 O\n0.378012 0.313836 0.454020 O\n0.923991 0.045980 0.359815 O\n0.576009 0.935824 0.121988 O\n0.186164 0.564176 0.140185 O\n0.313836 0.454020 0.378012 O\n0.954020 0.640185 0.076009 O\n0.064176 0.878012 0.423991 O\n0.435824 0.859815 0.813836 O\n0.545980 0.621988 0.686164 O\n0.640185 0.076009 0.954020 O\n0.878012 0.423991 0.064176 O\n0.859815 0.813836 0.435824 O\n0.621988 0.686164 0.545980 O\n0.076009 0.954020 0.640185 O\n0.423991 0.064176 0.878012 O\n0.813836 0.435824 0.859815 O\n0.686164 0.545980 0.621988 O\n0.545980 0.423991 0.859815 O\n0.435824 0.076009 0.621988 O\n0.064176 0.686164 0.640185 O\n0.954020 0.813836 0.878012 O\n0.859815 0.545980 0.423991 O\n0.621988 0.435824 0.076009 O\n0.640185 0.064176 0.686164 O\n0.878012 0.954020 0.813836 O\n0.423991 0.859815 0.545980 O\n0.076009 0.621988 0.435824 O\n0.686164 0.640185 0.064176 O\n0.813836 0.878012 0.954020 O\n0.454020 0.576009 0.140185 O\n0.564176 0.923991 0.378012 O\n0.935824 0.313836 0.359815 O\n0.045980 0.186164 0.121988 O\n0.140185 0.454020 0.576009 O\n0.378012 0.564176 0.923991 O\n0.359815 0.935824 0.313836 O\n0.121988 0.045980 0.186164 O\n0.576009 0.140185 0.454020 O\n0.923991 0.378012 0.564176 O\n0.313836 0.359815 0.935824 O\n0.186164 0.121988 0.045980 O\n","nsites":68,"nelements":3,"elements":["Ca","Al","O"],"chemical_system":"Al-Ca-O","density":2.230111366038054,"density_atomic":0.062347643055974976,"volume":1090.6587108505514,"volume_molar":9.658970996856118,"formula_full":"Ca12 Al8 O48","formula_reduced":"Ca3Al2O12","formula_anonymous":"A2B3C12","energy":-413.44393481,"energy_per_atom":-6.08005786485294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-380.46793481,"band_gap":0.8159000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":47.9998009,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.295000Z","spacegroup":230},{"id":"mp-555470","created_at":"2022-09-04T14:44:24.302582Z","structure_string":"Mn8 Fe12 Si12 O48\n1.0\n-5.949126 5.949126 5.949126\n5.949126 -5.949126 5.949126\n5.949126 5.949126 -5.949126\nMn Fe Si O\n8 12 12 48\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.125000 0.250000 0.375000 Fe\n0.750000 0.125000 0.375000 Fe\n0.250000 0.875000 0.625000 Fe\n0.375000 0.750000 0.125000 Fe\n0.875000 0.625000 0.250000 Fe\n0.750000 0.625000 0.875000 Fe\n0.625000 0.250000 0.875000 Fe\n0.875000 0.750000 0.625000 Fe\n0.125000 0.375000 0.750000 Fe\n0.625000 0.875000 0.750000 Fe\n0.375000 0.125000 0.250000 Fe\n0.250000 0.375000 0.125000 Fe\n0.875000 0.250000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.410734 0.104233 0.623504 O\n0.519271 0.395767 0.806501 O\n0.104233 0.623504 0.410734 O\n0.895767 0.376496 0.589266 O\n0.287229 0.480729 0.376496 O\n0.589266 0.895767 0.376496 O\n0.212771 0.589266 0.193499 O\n0.019271 0.306501 0.895767 O\n0.480729 0.376496 0.287229 O\n0.693499 0.104233 0.980729 O\n0.376496 0.287229 0.480729 O\n0.123504 0.019271 0.212771 O\n0.212771 0.123504 0.019271 O\n0.876496 0.395767 0.089266 O\n0.287229 0.306501 0.910734 O\n0.410734 0.806501 0.787229 O\n0.395767 0.089266 0.876496 O\n0.306501 0.910734 0.287229 O\n0.712771 0.519271 0.623504 O\n0.895767 0.019271 0.306501 O\n0.623504 0.410734 0.104233 O\n0.910734 0.287229 0.306501 O\n0.019271 0.212771 0.123504 O\n0.876496 0.980729 0.787229 O\n0.193499 0.480729 0.604233 O\n0.806501 0.787229 0.410734 O\n0.623504 0.712771 0.519271 O\n0.395767 0.806501 0.519271 O\n0.089266 0.712771 0.693499 O\n0.712771 0.693499 0.089266 O\n0.806501 0.519271 0.395767 O\n0.980729 0.787229 0.876496 O\n0.104233 0.980729 0.693499 O\n0.787229 0.410734 0.806501 O\n0.519271 0.623504 0.712771 O\n0.480729 0.604233 0.193499 O\n0.604233 0.193499 0.480729 O\n0.376496 0.589266 0.895767 O\n0.193499 0.212771 0.589266 O\n0.589266 0.193499 0.212771 O\n0.787229 0.876496 0.980729 O\n0.123504 0.604233 0.910734 O\n0.693499 0.089266 0.712771 O\n0.604233 0.910734 0.123504 O\n0.910734 0.123504 0.604233 O\n0.306501 0.895767 0.019271 O\n0.089266 0.876496 0.395767 O\n0.980729 0.693499 0.104233 O\n","nsites":80,"nelements":4,"elements":["Mn","Fe","Si","O"],"chemical_system":"Fe-Mn-O-Si","density":4.366495834350831,"density_atomic":0.09498838286589929,"volume":842.2082531180757,"volume_molar":6.339870811888451,"formula_full":"Mn8 Fe12 Si12 O48","formula_reduced":"Mn2Fe3(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-665.5787475499999,"energy_per_atom":-8.319734344374998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-592.18674755,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":80.0006583,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.785000Z","spacegroup":230},{"id":"mp-6527","created_at":"2022-09-04T14:44:27.349903Z","structure_string":"Na12 Li12 In8 F48\n1.0\n-6.447976 6.447976 6.447976\n6.447976 -6.447976 6.447976\n6.447976 6.447976 -6.447976\nNa Li In F\n12 12 8 48\ndirect\n0.875000 0.750000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.250000 0.875000 0.625000 Na\n0.750000 0.625000 0.875000 Na\n0.625000 0.250000 0.875000 Na\n0.125000 0.250000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.375000 0.125000 0.250000 Na\n0.750000 0.125000 0.375000 Na\n0.250000 0.375000 0.125000 Na\n0.375000 0.750000 0.125000 Na\n0.375000 0.625000 0.750000 Li\n0.625000 0.375000 0.250000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.750000 0.375000 0.625000 Li\n0.250000 0.625000 0.375000 Li\n0.750000 0.875000 0.125000 Li\n0.125000 0.750000 0.875000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.681565 0.082513 0.704697 F\n0.704697 0.681565 0.082513 F\n0.523132 0.400948 0.818435 F\n0.622184 0.417487 0.099052 F\n0.400948 0.082513 0.877816 F\n0.795303 0.877816 0.976868 F\n0.704697 0.523132 0.622184 F\n0.082513 0.704697 0.681565 F\n0.099052 0.976868 0.681565 F\n0.622184 0.704697 0.523132 F\n0.082513 0.877816 0.400948 F\n0.417487 0.818435 0.795303 F\n0.818435 0.795303 0.417487 F\n0.523132 0.622184 0.704697 F\n0.681565 0.099052 0.976868 F\n0.976868 0.681565 0.099052 F\n0.877816 0.400948 0.082513 F\n0.818435 0.523132 0.400948 F\n0.877816 0.976868 0.795303 F\n0.099052 0.622184 0.417487 F\n0.400948 0.818435 0.523132 F\n0.417487 0.099052 0.622184 F\n0.976868 0.795303 0.877816 F\n0.795303 0.417487 0.818435 F\n0.318435 0.917487 0.295303 F\n0.295303 0.318435 0.917487 F\n0.476868 0.599052 0.181565 F\n0.377816 0.582513 0.900948 F\n0.599052 0.917487 0.122184 F\n0.204697 0.122184 0.023132 F\n0.295303 0.476868 0.377816 F\n0.917487 0.295303 0.318435 F\n0.900948 0.023132 0.318435 F\n0.377816 0.295303 0.476868 F\n0.917487 0.122184 0.599052 F\n0.582513 0.181565 0.204697 F\n0.181565 0.204697 0.582513 F\n0.476868 0.377816 0.295303 F\n0.318435 0.900948 0.023132 F\n0.023132 0.318435 0.900948 F\n0.122184 0.599052 0.917487 F\n0.181565 0.476868 0.599052 F\n0.122184 0.023132 0.204697 F\n0.900948 0.377816 0.582513 F\n0.599052 0.181565 0.476868 F\n0.582513 0.900948 0.377816 F\n0.023132 0.204697 0.122184 F\n0.204697 0.582513 0.181565 F\n","nsites":80,"nelements":4,"elements":["Na","Li","In","F"],"chemical_system":"F-In-Li-Na","density":3.3907120521184075,"density_atomic":0.07460359550729745,"volume":1072.3343755218164,"volume_molar":8.072185688973846,"formula_full":"Na12 Li12 In8 F48","formula_reduced":"Na3Li3In2F12","formula_anonymous":"A2B3C3D12","energy":-394.73431028,"energy_per_atom":-4.9341788785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.55831028,"band_gap":6.3204,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0381263,"is_theoretical":false,"updated_at":"2021-11-28T01:36:38.794000Z","spacegroup":230},{"id":"mp-1214302","created_at":"2022-09-04T14:44:24.976943Z","structure_string":"Ca12 Yb8 Ge12 O48\n1.0\n-6.447919 6.447919 6.447919\n6.447919 -6.447919 6.447919\n6.447919 6.447919 -6.447919\nCa Yb Ge O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\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\n0.250000 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\n0.476344 0.373090 0.278342 O\n0.523656 0.626910 0.721658 O\n0.594747 0.198002 0.221658 O\n0.905253 0.126910 0.603255 O\n0.278342 0.476344 0.373090 O\n0.301998 0.905252 0.278342 O\n0.405253 0.801998 0.778342 O\n0.094747 0.873090 0.396745 O\n0.721658 0.523656 0.626910 O\n0.698002 0.094747 0.721658 O\n0.023656 0.301998 0.896745 O\n0.221658 0.594747 0.198002 O\n0.126910 0.023656 0.221658 O\n0.976344 0.698002 0.103255 O\n0.778342 0.405253 0.801998 O\n0.873090 0.976344 0.778342 O\n0.603255 0.905253 0.126910 O\n0.198002 0.476344 0.603255 O\n0.396745 0.094747 0.873090 O\n0.801998 0.523656 0.396745 O\n0.896745 0.023656 0.301998 O\n0.373090 0.594747 0.896745 O\n0.103255 0.976344 0.698002 O\n0.626910 0.405252 0.103255 O\n0.373090 0.278342 0.476344 O\n0.594747 0.896745 0.373090 O\n0.626910 0.721658 0.523656 O\n0.405252 0.103255 0.626910 O\n0.126910 0.603255 0.905253 O\n0.023656 0.221658 0.126910 O\n0.873090 0.396745 0.094747 O\n0.976344 0.778342 0.873090 O\n0.301998 0.896745 0.023656 O\n0.905253 0.278342 0.301998 O\n0.698002 0.103255 0.976344 O\n0.094747 0.721658 0.698002 O\n0.198002 0.221658 0.594747 O\n0.476344 0.603255 0.198002 O\n0.801998 0.778342 0.405253 O\n0.523656 0.396745 0.801998 O\n0.278342 0.301998 0.905253 O\n0.721658 0.698002 0.094747 O\n0.221658 0.126910 0.023656 O\n0.778342 0.873090 0.976344 O\n0.896745 0.373090 0.594747 O\n0.103255 0.626910 0.405253 O\n0.603255 0.198002 0.476344 O\n0.396745 0.801998 0.523656 O\n","nsites":80,"nelements":4,"elements":["Ca","Yb","Ge","O"],"chemical_system":"Ca-Ge-O-Yb","density":5.427588458450055,"density_atomic":0.0746055740258872,"volume":1072.3059375193736,"volume_molar":8.071971616906792,"formula_full":"Ca12 Yb8 Ge12 O48","formula_reduced":"Ca3Yb2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-551.44498709,"energy_per_atom":-6.8930623386250005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-518.46898709,"band_gap":0.0093999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.0020242,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.970000Z","spacegroup":230},{"id":"mp-1328181","created_at":"2022-09-04T14:44:25.723064Z","structure_string":"Ti8 Zn12 Ge12 O48\n1.0\n-6.125399 6.125399 6.125399\n6.125399 -6.125399 6.125399\n6.125399 6.125399 -6.125399\nTi Zn Ge O\n8 12 12 48\ndirect\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.750000 0.125000 0.375000 Zn\n0.250000 0.375000 0.125000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.250000 0.375000 Zn\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.419569 0.818055 0.794882 O\n0.875313 0.398486 0.080431 O\n0.101514 0.976827 0.681945 O\n0.523173 0.624687 0.705118 O\n0.681945 0.080431 0.705118 O\n0.624687 0.705118 0.523173 O\n0.624687 0.419569 0.101514 O\n0.705118 0.523173 0.624687 O\n0.818055 0.523173 0.398486 O\n0.976827 0.794882 0.875313 O\n0.794882 0.875313 0.976827 O\n0.705118 0.681945 0.080431 O\n0.419569 0.101514 0.624687 O\n0.398486 0.818055 0.523173 O\n0.080431 0.705118 0.681945 O\n0.101514 0.624687 0.419569 O\n0.523173 0.398486 0.818055 O\n0.080431 0.875313 0.398486 O\n0.976827 0.681945 0.101514 O\n0.181945 0.476827 0.601514 O\n0.681945 0.101514 0.976827 O\n0.794882 0.419569 0.818055 O\n0.398486 0.080431 0.875313 O\n0.875313 0.976827 0.794882 O\n0.580431 0.181945 0.205118 O\n0.124687 0.601514 0.919569 O\n0.898486 0.023173 0.318055 O\n0.476827 0.375313 0.294882 O\n0.318055 0.919569 0.294882 O\n0.375313 0.294882 0.476827 O\n0.375313 0.580431 0.898486 O\n0.294882 0.476827 0.375313 O\n0.124687 0.023173 0.205118 O\n0.601514 0.919569 0.124687 O\n0.205118 0.580431 0.181945 O\n0.181945 0.205118 0.580431 O\n0.318055 0.898486 0.023173 O\n0.023173 0.318055 0.898486 O\n0.919569 0.124687 0.601514 O\n0.476827 0.601514 0.181945 O\n0.898486 0.375313 0.580431 O\n0.919569 0.294882 0.318055 O\n0.601514 0.181945 0.476827 O\n0.580431 0.898486 0.375313 O\n0.294882 0.318055 0.919569 O\n0.205118 0.124687 0.023173 O\n0.023173 0.205118 0.124687 O\n0.818055 0.794882 0.419569 O\n","nsites":80,"nelements":4,"elements":["Ti","Zn","Ge","O"],"chemical_system":"Ge-O-Ti-Zn","density":5.071132740443119,"density_atomic":0.08702155625739744,"volume":919.3124490140275,"volume_molar":6.920286212978495,"formula_full":"Ti8 Zn12 Ge12 O48","formula_reduced":"Ti2Zn3(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-545.04805019,"energy_per_atom":-6.813100627375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-512.07205019,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6086088,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.807000Z","spacegroup":230},{"id":"mp-21791","created_at":"2022-09-04T14:44:26.499906Z","structure_string":"V8 Fe12 Si12 O48\n1.0\n-5.951952 5.951952 5.951952\n5.951952 -5.951952 5.951952\n5.951952 5.951952 -5.951952\nV Fe Si O\n8 12 12 48\ndirect\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.875000 0.625000 0.250000 Fe\n0.625000 0.250000 0.875000 Fe\n0.875000 0.750000 0.625000 Fe\n0.750000 0.625000 0.875000 Fe\n0.250000 0.875000 0.625000 Fe\n0.625000 0.875000 0.750000 Fe\n0.125000 0.375000 0.750000 Fe\n0.375000 0.750000 0.125000 Fe\n0.125000 0.250000 0.375000 Fe\n0.250000 0.375000 0.125000 Fe\n0.750000 0.125000 0.375000 Fe\n0.375000 0.125000 0.250000 Fe\n0.125000 0.875000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.693405 0.088704 0.711077 O\n0.104700 0.982328 0.693405 O\n0.711077 0.517672 0.622372 O\n0.622372 0.711077 0.517672 O\n0.877628 0.395300 0.088704 O\n0.088704 0.877628 0.395300 O\n0.982328 0.693405 0.104700 O\n0.411296 0.104700 0.622372 O\n0.395300 0.806595 0.517672 O\n0.982328 0.788923 0.877628 O\n0.104700 0.622372 0.411296 O\n0.517672 0.395300 0.806595 O\n0.788923 0.877628 0.982328 O\n0.711077 0.693405 0.088704 O\n0.088704 0.711077 0.693405 O\n0.622372 0.411296 0.104700 O\n0.788923 0.411296 0.806595 O\n0.806595 0.517672 0.395300 O\n0.806595 0.788923 0.411296 O\n0.877628 0.982328 0.788923 O\n0.411296 0.806595 0.788923 O\n0.395300 0.088704 0.877628 O\n0.693405 0.104700 0.982328 O\n0.517672 0.622372 0.711077 O\n0.306595 0.911296 0.288923 O\n0.895300 0.017672 0.306595 O\n0.288923 0.482328 0.377628 O\n0.377628 0.288923 0.482328 O\n0.122372 0.604700 0.911296 O\n0.911296 0.122372 0.604700 O\n0.017672 0.306595 0.895300 O\n0.588704 0.895300 0.377628 O\n0.604700 0.193405 0.482328 O\n0.017672 0.211077 0.122372 O\n0.895300 0.377628 0.588704 O\n0.482328 0.604700 0.193405 O\n0.211077 0.122372 0.017672 O\n0.288923 0.306595 0.911296 O\n0.911296 0.288923 0.306595 O\n0.377628 0.588704 0.895300 O\n0.211077 0.588704 0.193405 O\n0.193405 0.482328 0.604700 O\n0.193405 0.211077 0.588704 O\n0.122372 0.017672 0.211077 O\n0.588704 0.193405 0.211077 O\n0.604700 0.911296 0.122372 O\n0.306595 0.895300 0.017672 O\n0.482328 0.377628 0.288923 O\n","nsites":80,"nelements":4,"elements":["V","Fe","Si","O"],"chemical_system":"Fe-O-Si-V","density":4.29733059893425,"density_atomic":0.09485314501338243,"volume":843.4090402454566,"volume_molar":6.348909948268306,"formula_full":"V8 Fe12 Si12 O48","formula_reduced":"V2Fe3(SiO4)3","formula_anonymous":"A2B3C3D12","energy":-675.6722686200001,"energy_per_atom":-8.445903357750002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-602.02426862,"band_gap":1.872,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":64.1467201,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.005000Z","spacegroup":230}]}