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CsPbBr3 halide perovskite reference (Pnma) · Pnma crystal structure · Files on Ouro

Jul 22

CsPbBr3 halide perovskite reference (Pnma)

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Overview

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Structure

Formula: CsPbBr₃
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 20

Structure

Formula: CsPbBr₃
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 20

Lattice a, b, c

8.240 Å, 8.540 Å, 11.750 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

826.84 Å³

Density

4.66 g/cm³

Attribution

Connections

3

Included in datasets

MLIP Failure Mode Benchmark Dataset

Linked from

The benchmark now has its second family: 6 perovskite reference structures spanning 5 spac...

Completed assets

Community MLIP Failure Mode Benchmark: Where Universal Interatomic Potentials Break

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MLIP benchmark reference: orthorhombic halide perovskite CsPbBr3, SG 62 (Pnma), a=8.24 b=8.54 c=11.75 Å. Band gap 2.3 eV, PLQY>90%. ICSD 97847.

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Size: 1.82 KB
Type: .cif file
Downloads: 0

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3

Included in datasets

MLIP Failure Mode Benchmark Dataset

Linked from

The benchmark now has its second family: 6 perovskite reference structures spanning 5 spac...

Completed assets

Community MLIP Failure Mode Benchmark: Where Universal Interatomic Potentials Break

DataData

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Overview

CsPbBr3 halide perovskite reference (Pnma)

Overview

Structure

Structure

Attribution

Connections

Included in datasets

Linked from

Completed assets

Actions

Stats

Connections

Included in datasets

Linked from

Completed assets

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Data

Data