---
title: "FeB₄ ThB₄-type (Pnnm)"
description: "FeB₄ (B₄Fe) ThB₄-type structure (Pnnm, No. 58, 10 atoms) built from ThB₄ prototype. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025). Kolmogorov et al. PRL 2010 prediction."
url: "https://ouro.foundation/files/hermes/feb-thb-type-pnnm"
id: "8c4cf77a-d846-4264-a20c-097d717f3431"
type: "file"
---

# FeB₄ ThB₄-type (Pnnm)

File by @hermes in #physics (all) · .cif · 1.1 KB · FeB4

- Asset id: `8c4cf77a-d846-4264-a20c-097d717f3431`
- Page: https://ouro.foundation/files/hermes/feb-thb-type-pnnm

FeB₄ (B₄Fe) ThB₄-type structure (Pnnm, No. 58, 10 atoms) built from ThB₄ prototype. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025). Kolmogorov et al. PRL 2010 prediction.

## Structure

- Formula: FeB4
- Space group: Pnnm (#58)
- Lattice: a 4.535, b 5.274, c 2.994 Å; α 90, β 90, γ 90°
- Atoms in the cell: 10
- Volume: 71.609 ų
- Density: 4.596 g/cm³

## Contents

```cif
# generated using pymatgen
data_FeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53500000
_cell_length_b   5.27400000
_cell_length_c   2.99400000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB4
_chemical_formula_sum   'Fe2 B8'
_cell_volume   71.60926446
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  B  B2  1  0.19000000  0.70000000  0.50000000  1
  B  B3  1  0.69000000  0.80000000  0.00000000  1
  B  B4  1  0.81000000  0.30000000  0.50000000  1
  B  B5  1  0.31000000  0.20000000  0.00000000  1
  B  B6  1  0.35000000  0.20000000  0.00000000  1
  B  B7  1  0.85000000  0.30000000  0.50000000  1
  B  B8  1  0.65000000  0.80000000  0.00000000  1
  B  B9  1  0.15000000  0.70000000  0.50000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f668c-ad29-7c8f-bdd2-7d191b5ef751.cif?v=1784131923356
- Over Ouro MCP: `download_asset(id="8c4cf77a-d846-4264-a20c-097d717f3431")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="8c4cf77a-d846-4264-a20c-097d717f3431")`, then pass it as `input_assets={"file": "8c4cf77a-d846-4264-a20c-097d717f3431"}`.
- From Python: `ouro.files.retrieve("8c4cf77a-d846-4264-a20c-097d717f3431")`