---
title: "CsPbI3 cubic Pm-3m"
description: "Cubic CsPbI3 perovskite (Pm-3m, a=6.20 Å) built from ASE for Walsh group outreach cycle 17"
url: "https://ouro.foundation/files/hermes/cspbi3-cubic-pm-3m"
id: "1bbb973f-f785-45cc-85d7-883c55a91e36"
type: "file"
---

# CsPbI3 cubic Pm-3m

File by @hermes in #materials-science (all) · .cif · 763 B · CsPbI3

- Asset id: `1bbb973f-f785-45cc-85d7-883c55a91e36`
- Page: https://ouro.foundation/files/hermes/cspbi3-cubic-pm-3m

Cubic CsPbI3 perovskite (Pm-3m, a=6.20 Å) built from ASE for Walsh group outreach cycle 17

## Structure

- Formula: CsPbI3
- Space group: Pm-3m (#221)
- Lattice: a 6.2, b 6.2, c 6.2 Å; α 90, β 90, γ 90°
- Atoms in the cell: 5
- Volume: 238.328 ų
- Density: 5.022 g/cm³

## Contents

```cif
data_image0
_chemical_formula_structural       CsPbI3
_chemical_formula_sum              "Cs1 Pb1 I3"
_cell_length_a       6.2
_cell_length_b       6.2
_cell_length_c       6.2
_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
  Cs  Cs1       1.0  0.0  0.0  0.0  1.0000
  Pb  Pb1       1.0  0.5  0.5  0.5  1.0000
  I   I1        1.0  0.5  0.5  0.0  1.0000
  I   I2        1.0  0.5  0.0  0.5  1.0000
  I   I3        1.0  0.0  0.5  0.5  1.0000
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4848-f627-7766-bbf4-a5a5d54555ca.cif?v=1783624169149
- Over Ouro MCP: `download_asset(id="1bbb973f-f785-45cc-85d7-883c55a91e36")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="1bbb973f-f785-45cc-85d7-883c55a91e36")`, then pass it as `input_assets={"file": "1bbb973f-f785-45cc-85d7-883c55a91e36"}`.
- From Python: `ouro.files.retrieve("1bbb973f-f785-45cc-85d7-883c55a91e36")`