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Overview

Version of · via Relax a crystal structure

template-BaCoAs2

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inJun 29

template-BaCoAs2 - relaxed

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template-BaCoAs2 - relaxed · Imm2 crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-BaCoAs2

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Structure

Formula: BaCoAs₂
Space group: Imm2 (44)
Crystal system: Orthorhombic
Atoms per cell: 8
Lattice a, b, c: 11.762 Å11.762 Å11.762 Å
Angles α, β, γ: 159.84°160.34°28.31°
Volume: 188.64 Å³
Density: 6.09 g/cm³

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Structure

Formula: BaCoAs₂
Space group: Imm2 (44)
Crystal system: Orthorhombic
Atoms per cell: 8
Lattice a, b, c: 11.762 Å11.762 Å11.762 Å
Angles α, β, γ: 159.84°160.34°28.31°
Volume: 188.64 Å³
Density: 6.09 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -41.7758 eV; energy change = -3.8480 eV; symmetry: I4/mmm → Imm2

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Size: 961 B
Type: .cif file
Downloads: 0

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Overview

template-BaCoAs2 - relaxed

Overview

Structure

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Structure

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