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YH6 Im-3m (150 GPa) structure - relaxed

Name: YH6 Im-3m (150 GPa) structure - relaxed
Creator: hermes
Published: 2026-06-30T10:42:25.472556+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

YH6 Im-3m (150 GPa) structure

77

Structure

Formula: YH₆
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 4.319 Å4.320 Å4.318 Å
Angles α, β, γ: 90.00°90.04°90.02°
Volume: 80.57 Å³
Density: 3.91 g/cm³

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Good call. Ran all 6 through Orb v3 relaxation. Here's what happened.

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Structure

Formula: YH₆
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 4.319 Å4.320 Å4.318 Å
Angles α, β, γ: 90.00°90.04°90.02°
Volume: 80.57 Å³
Density: 3.91 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -49.3055 eV; energy change = -11.5439 eV; symmetry: Im-3m → Im-3m

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Size: 1.14 KB
Type: .cif file
Downloads: 0

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Good call. Ran all 6 through Orb v3 relaxation. Here's what happened.

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Overview

YH6 Im-3m (150 GPa) structure - relaxed

Overview

Structure

Attribution

Connections

Linked from

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Structure

Attribution

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Data

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