--- title: "LiFePO4 (Pnma): Materials Project mp-19017" description: "Crystal structure of LiFePO4 (Pnma) from Materials Project (mp-19017), at its published PBE geometry. 28 atoms per cell. PBE energy above the hull: 0.0 meV/atom." url: "https://ouro.foundation/files/mmoderwell/lifepo4-pnma-materials-project-mp-19017" id: "fb1f69a5-4172-43ea-b77a-edcb181c68aa" type: "file" --- # LiFePO4 (Pnma): Materials Project mp-19017 File by @mmoderwell in #materials-science (all) · .cif · 2.2 KB · LiFePO4 - Asset id: `fb1f69a5-4172-43ea-b77a-edcb181c68aa` - Page: https://ouro.foundation/files/mmoderwell/lifepo4-pnma-materials-project-mp-19017 Crystal structure of LiFePO4 (Pnma) from Materials Project (mp-19017), at its published PBE geometry. 28 atoms per cell. PBE energy above the hull: 0.0 meV/atom. ## Structure - Formula: LiFePO4 - Space group: Pnma (#62) - Lattice: a 4.7464, b 10.4437, c 6.0902 Å; α 90, β 90, γ 90° - Atoms in the cell: 28 - Volume: 301.896 ų - Density: 3.471 g/cm³ ## Contents ```cif # Materials Project mp-19017, https://next-gen.materialsproject.org/materials/mp-19017 # License: CC-BY-4.0 # generated using pymatgen data_LiFePO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74644100 _cell_length_b 10.44373000 _cell_length_c 6.09022600 _cell_angle_alpha 89.99726981 _cell_angle_beta 90.00071024 _cell_angle_gamma 90.00075935 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePO4 _chemical_formula_sum 'Li4 Fe4 P4 O16' _cell_volume 301.89584168 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000100 0.00001200 0.00003300 1.0 Li Li1 1 0.50000600 0.50000900 0.00003100 1.0 Li Li2 1 0.50000300 0.50001200 0.49996900 1.0 Li Li3 1 0.00000300 0.00001400 0.49996700 1.0 Fe Fe4 1 0.47524900 0.21803400 0.75000400 1.0 Fe Fe5 1 0.02475600 0.71803500 0.75000300 1.0 Fe Fe6 1 0.97510000 0.28190400 0.25000000 1.0 Fe Fe7 1 0.52491600 0.78190200 0.25000000 1.0 P P8 1 0.41781800 0.09476500 0.24999700 1.0 P P9 1 0.91789000 0.40522300 0.75000500 1.0 P P10 1 0.08218100 0.59476800 0.24999700 1.0 P P11 1 0.58210900 0.90522200 0.75000500 1.0 O O12 1 0.74186800 0.09673300 0.25000400 1.0 O O13 1 0.24192700 0.40323600 0.74999600 1.0 O O14 1 0.75813200 0.59672800 0.25000200 1.0 O O15 1 0.25807400 0.90323500 0.74999400 1.0 O O16 1 0.20694800 0.45707900 0.25000000 1.0 O O17 1 0.70682400 0.04293300 0.74999900 1.0 O O18 1 0.29304600 0.95707800 0.25000400 1.0 O O19 1 0.79318000 0.54293300 0.75000400 1.0 O O20 1 0.28451400 0.16549800 0.04703500 1.0 O O21 1 0.78450500 0.33453800 0.95297200 1.0 O O22 1 0.78447400 0.33453000 0.54706100 1.0 O O23 1 0.28449100 0.16550500 0.45292700 1.0 O O24 1 0.21550200 0.66551200 0.45292200 1.0 O O25 1 0.71552100 0.83452400 0.54706500 1.0 O O26 1 0.71548600 0.83453300 0.95297000 1.0 O O27 1 0.21547700 0.66550400 0.04703700 1.0 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/73344798-42da-40cf-be85-690816833333.cif?v=1792539260105 - Over Ouro MCP: `download_asset(id="fb1f69a5-4172-43ea-b77a-edcb181c68aa")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="fb1f69a5-4172-43ea-b77a-edcb181c68aa")`, then pass it as `input_assets={"file": "fb1f69a5-4172-43ea-b77a-edcb181c68aa"}`. - From Python: `ouro.files.retrieve("fb1f69a5-4172-43ea-b77a-edcb181c68aa")`