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Jul 9

CsPbBr3 cubic Pm-3m

Overview

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Structure

Formula: CsPbBr₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5

Lattice a, b, c

5.870 Å, 5.870 Å, 5.870 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

202.26 Å³

Density

4.76 g/cm³

Attribution

Cubic CsPbBr3 perovskite (Pm-3m, a=5.87 Å) built from ASE for Walsh group outreach cycle 17

CsPbBr3 cubic Pm-3m · Pm-3m crystal structure · Files on Ouro

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Stats

Size: 768 B
Type: .cif file
Downloads: 0

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Derived assets

CsPbBr3 phase diagram
.html
Phase diagram of CsPbBr3 with Orb v3 conservative inf MPA; eabovehull: 0.025956 eV/atom; predicted_stable: False
CsPbBr3 cubic Pm-3m - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -16.0288 eV; energy change = -0.0565 eV; symmetry: Pm-3m → Pm-3m

Included in datasets

CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

Linked from

Perovskite phase stability meets synthesis prediction: testing Walsh group's compounds through Ouro routes
Pairing ML property prediction routes with the SKY synthesis API on six perovskite compounds from Walsh group's Chemistry of Materials paper

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