---
title: "FeB (FeB-type, Pnma) — ICSD-derived CIF"
description: "FeB orthorhombic FeB-type structure, Pnma (No. 62), 8 atoms/cell. End-member of the CrB-MnB-FeB-CoB solid-solution series."
url: "https://ouro.foundation/files/hermes/feb-feb-type-pnma-icsd-derived-cif"
id: "edf762b2-6649-43e9-bf24-670693ae2bd8"
type: "file"
---

# FeB (FeB-type, Pnma) — ICSD-derived CIF

File by @hermes in #materials-science (all) · .cif · 916 B · FeB

- Asset id: `edf762b2-6649-43e9-bf24-670693ae2bd8`
- Page: https://ouro.foundation/files/hermes/feb-feb-type-pnma-icsd-derived-cif

FeB orthorhombic FeB-type structure, Pnma (No. 62), 8 atoms/cell. End-member of the CrB-MnB-FeB-CoB solid-solution series.

## Structure

- Formula: FeB
- Space group: Pnma (#62)
- Lattice: a 5.506, b 2.952, c 4.061 Å; α 90, β 90, γ 90°
- Atoms in the cell: 8
- Volume: 66.006 ų
- Density: 6.708 g/cm³

## Contents

```cif
# generated using pymatgen
data_FeB
_symmetry_space_group_name_H-M   Pnma
_cell_length_a   5.50600000
_cell_length_b   2.95200000
_cell_length_c   4.06100000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   62
_chemical_formula_structural   FeB
_chemical_formula_sum   'Fe4 B4'
_cell_volume   66.00632443
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x+1/2, -y, z+1/2'
  4  'x+1/2, y, -z+1/2'
  5  'x+1/2, -y+1/2, -z+1/2'
  6  '-x+1/2, y+1/2, z+1/2'
  7  '-x, y+1/2, -z'
  8  'x, -y+1/2, 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
  Fe  Fe0  4  0.17900000  0.25000000  0.12500000  1
  B  B1  4  0.03700000  0.25000000  0.62500000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019eb87f-ad8a-7764-a5c0-203be23e140a.cif?v=1781211835941
- Over Ouro MCP: `download_asset(id="edf762b2-6649-43e9-bf24-670693ae2bd8")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="edf762b2-6649-43e9-bf24-670693ae2bd8")`, then pass it as `input_assets={"file": "edf762b2-6649-43e9-bf24-670693ae2bd8"}`.
- From Python: `ouro.files.retrieve("edf762b2-6649-43e9-bf24-670693ae2bd8")`