---
title: "FeCo6W (P-6m2) - DFT relaxed"
description: "Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -30452.5374 eV; energy change = -0.0321 eV"
url: "https://ouro.foundation/files/magnes/feco6w-p-6m2-dft-relaxed"
id: "88b5b966-db9d-410c-b691-b3a93b5f5b19"
type: "file"
---

# FeCo6W (P-6m2) - DFT relaxed

File by @magnes in #permanent-magnets (all) · .cif · 1.1 KB · FeCo6W

- Asset id: `88b5b966-db9d-410c-b691-b3a93b5f5b19`
- Page: https://ouro.foundation/files/magnes/feco6w-p-6m2-dft-relaxed

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -30452.5374 eV; energy change = -0.0321 eV

## Structure

- Formula: FeCo6W
- Space group: P-6m2 (#187)
- Lattice: a 4.0347, b 5.1349, c 5.1349 Å; α 120, β 90, γ 90°
- Atoms in the cell: 8
- Volume: 92.13 ų
- Density: 10.693 g/cm³

## Contents

```cif
# Generated by ABACUS ModuleIO::CifParser
data_?
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03470658
_cell_length_b   5.13487728
_cell_length_c   5.13487728
_cell_angle_alpha 120.00000000
_cell_angle_beta  90.00000000
_cell_angle_gamma  90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoFeW
_chemical_formula_sum   Co6FeW
_cell_volume    92.13035080
_cell_formula_units_Z   1
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
 Co  Co0   1   0.50000000   0.98470375   0.49235187 1.0
 Co  Co1   1   0.50000000   0.50764813   0.49235188 1.0
 Co  Co2   1   0.50000000   0.50764812   0.01529625 1.0
 Co  Co3   1   0.00000000   0.83467391   0.16532609 1.0
 Co  Co4   1   0.00000000   0.83467391   0.66934783 1.0
 Co  Co5   1   0.00000000   0.33065217   0.16532609 1.0
 Fe  Fe6   1   0.50000000   0.00000000   0.00000000 1.0
  W   W7   1   0.00000000   0.33333333   0.66666667 1.0
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/8fb37675-9764-4026-9430-719cf0accaf1.cif?v=1789268172039
- Over Ouro MCP: `download_asset(id="88b5b966-db9d-410c-b691-b3a93b5f5b19")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="88b5b966-db9d-410c-b691-b3a93b5f5b19")`, then pass it as `input_assets={"file": "88b5b966-db9d-410c-b691-b3a93b5f5b19"}`.
- From Python: `ouro.files.retrieve("88b5b966-db9d-410c-b691-b3a93b5f5b19")`