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template-Co2Ru(CN)6 1 - relaxed

Name: template-Co2Ru(CN)6 1 - relaxed
Creator: will
Published: 2026-06-29T20:44:03.533562+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-Co2Ru(CN)6 1

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Structure

Formula: Co₂RuC₆N₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 5.738 Å5.739 Å6.901 Å
Angles α, β, γ: 89.95°89.98°120.00°
Volume: 196.81 Å³
Density: 3.16 g/cm³

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Structure

Formula: Co₂RuC₆N₆
Space group: P-31m (162)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 5.738 Å5.739 Å6.901 Å
Angles α, β, γ: 89.95°89.98°120.00°
Volume: 196.81 Å³
Density: 3.16 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -122.7872 eV; energy change = -0.3654 eV; symmetry: P-31m → P-31m

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Size: 1.2 KB
Type: .cif file
Downloads: 0

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Overview

template-Co2Ru(CN)6 1 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Attribution

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Connections

Included in datasets

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Data

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