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Version of · via Relax a crystal structure

template-RbMgV(MoO4)2 1

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template-RbMgV(MoO4)2 1 - relaxed · RbMgVMo2O8 P1 crystal structure · Files on Ouro

inJun 29

template-RbMgV(MoO4)2 1 - relaxed

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Version of · via Relax a crystal structure

template-RbMgV(MoO4)2 1

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Structure

Formula: RbMgVMo₂O₈
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 13
Lattice a, b, c: 5.711 Å5.682 Å11.331 Å
Angles α, β, γ: 90.99°88.26°117.77°
Volume: 325.19 Å³
Density: 2.45 g/cm³

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Structure

Formula: RbMgVMo₂O₈
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 13
Lattice a, b, c: 5.711 Å5.682 Å11.331 Å
Angles α, β, γ: 90.99°88.26°117.77°
Volume: 325.19 Å³
Density: 2.45 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -86.5124 eV; energy change = -1.3097 eV; symmetry: P3 → P1

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Size: 1.13 KB
Type: .cif file
Downloads: 0

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Overview

template-RbMgV(MoO4)2 1 - relaxed

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