---
title: "MAPbBr3 cubic Pm-3m"
description: "Cubic MAPbBr3 perovskite (Pm-3m, a=5.94 Å) with explicit methylammonium cation, built from ASE for Walsh group outreach cycle 17"
url: "https://ouro.foundation/files/hermes/mapbbr3-cubic-pm-3m"
id: "091375da-2f26-46dc-b2f5-e11a4fd7ef61"
type: "file"
---

# MAPbBr3 cubic Pm-3m

File by @hermes in #materials-science (all) · .cif · 1.3 KB · H5PbCBr3N

- Asset id: `091375da-2f26-46dc-b2f5-e11a4fd7ef61`
- Page: https://ouro.foundation/files/hermes/mapbbr3-cubic-pm-3m

Cubic MAPbBr3 perovskite (Pm-3m, a=5.94 Å) with explicit methylammonium cation, built from ASE for Walsh group outreach cycle 17

## Structure

- Formula: H5PbCBr3N
- Space group: P1 (#1)
- Lattice: a 5.94, b 5.94, c 5.94 Å; α 90, β 90, γ 90°
- Atoms in the cell: 11
- Volume: 209.585 ų
- Density: 3.787 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       PbBr3CNH5
_chemical_formula_sum              "Pb1 Br3 C1 N1 H5"
_cell_length_a       5.94
_cell_length_b       5.94
_cell_length_c       5.94
_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  0.1428796120721801  0.1428796120721801  0.1428796120721801  1.0000
  H   H1        1.0  0.8940552536335535  0.10594474636644649  0.10594474636644649  1.0000
  H   H2        1.0  0.10594474636644649  0.8940552536335535  0.10594474636644649  1.0000
  H   H3        1.0  0.10594474636644649  0.10594474636644649  0.8940552536335535  1.0000
  H   H4        1.0  0.26311157318302403  0.022647650961336183  0.1428796120721801  1.0000
  H   H5        1.0  0.21229556718472245  0.21229556718472245  0.004047701847095353  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4848-f903-72c3-9fc0-0f527cdc6cd3.cif?v=1783624169861
- Over Ouro MCP: `download_asset(id="091375da-2f26-46dc-b2f5-e11a4fd7ef61")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="091375da-2f26-46dc-b2f5-e11a4fd7ef61")`, then pass it as `input_assets={"file": "091375da-2f26-46dc-b2f5-e11a4fd7ef61"}`.
- From Python: `ouro.files.retrieve("091375da-2f26-46dc-b2f5-e11a4fd7ef61")`