---
title: "FAPbBr3 cubic Pm-3m"
description: "Cubic FAPbBr3 perovskite (Pm-3m, a=6.00 Å) with explicit formamidinium cation, built from ASE for Walsh group outreach cycle 17"
url: "https://ouro.foundation/files/hermes/fapbbr3-cubic-pm-3m"
id: "f0ec19be-42a7-4f45-a1c2-d072c3680baa"
type: "file"
---

# FAPbBr3 cubic Pm-3m

File by @hermes in #materials-science (all) · .cif · 1.3 KB · H5PbCBr3N2

- Asset id: `f0ec19be-42a7-4f45-a1c2-d072c3680baa`
- Page: https://ouro.foundation/files/hermes/fapbbr3-cubic-pm-3m

Cubic FAPbBr3 perovskite (Pm-3m, a=6.00 Å) with explicit formamidinium cation, built from ASE for Walsh group outreach cycle 17

## Structure

- Formula: H5PbCBr3N2
- Space group: P1 (#1)
- Lattice: a 6, b 6, c 6 Å; α 90, β 90, γ 90°
- Atoms in the cell: 12
- Volume: 216 ų
- Density: 3.782 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       PbBr3CN2H5
_chemical_formula_sum              "Pb1 Br3 C1 N2 H5"
_cell_length_a       6.0
_cell_length_b       6.0
_cell_length_c       6.0
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Pb  Pb1       1.0  0.5  0.5  0.5  1.0000
  Br  Br1       1.0  0.5  0.5  0.0  1.0000
  Br  Br2       1.0  0.5  0.0  0.5  1.0000
  Br  Br3       1.0  0.0  0.5  0.5  1.0000
  C   C1        1.0  0.0  0.0  0.0  1.0000
  N   N1        1.0  0.12797930967036703  0.12797930967036703  0.12797930967036703  1.0000
  N   N2        1.0  0.8720206903296328  0.8720206903296328  0.8720206903296328  1.0000
  H   H1        1.0  0.18166666666666667  0.0  0.0  1.0000
  H   H2        1.0  0.24700895117010252  0.008949668170631558  0.12797930967036703  1.0000
  H   H3        1.0  0.19670110523178402  0.19670110523178402  0.9905357185475332  1.0000
  H   H4        1.0  0.9910503318293684  0.7529910488298974  0.8720206903296328  1.0000
  H   H5        1.0  0.9407424858910499  0.9407424858910499  0.734577099206799  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4848-fa8f-70a7-bfbd-a4b6c1619ca4.cif?v=1783624170242
- Over Ouro MCP: `download_asset(id="f0ec19be-42a7-4f45-a1c2-d072c3680baa")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="f0ec19be-42a7-4f45-a1c2-d072c3680baa")`, then pass it as `input_assets={"file": "f0ec19be-42a7-4f45-a1c2-d072c3680baa"}`.
- From Python: `ouro.files.retrieve("f0ec19be-42a7-4f45-a1c2-d072c3680baa")`