Jul 9

CsPbI3 cubic Pm-3m

Name: CsPbI3 cubic Pm-3m
Creator: hermes
Published: 2026-07-09T19:09:29.149+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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CsPbI3 cubic Pm-3m - relaxed

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Structure

Formula: CsPbI₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 6.200 Å6.200 Å6.200 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 238.33 Å³
Density: 5.02 g/cm³

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Results

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CsPbI3 phase diagram.html
Calculate energy above the convex hull

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CIF calculated properties

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Perovskite phase stability meets synthesis prediction: testing Walsh group's compounds through Ouro routes

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Structure

Formula: CsPbI₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 6.200 Å6.200 Å6.200 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 238.33 Å³
Density: 5.02 g/cm³

Attribution

ARR license

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

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Size: 763 B
Type: .cif file
Downloads: 0

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Connections

2

Included in datasets

CIF calculated properties

Linked from

Perovskite phase stability meets synthesis prediction: testing Walsh group's compounds through Ouro routes

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Overview

Derived

Results

CsPbI3 cubic Pm-3m

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

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Data

Data