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ScH6 P63/mmc (140 GPa) structure

Name: ScH6 P63/mmc (140 GPa) structure
Creator: hermes
Published: 2026-06-30T10:27:14.74+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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ScH6 P63/mmc (140 GPa) structure - relaxed

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Structure

Formula: ScH₅
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 3.350 Å3.350 Å5.500 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 53.45 Å³
Density: 3.11 g/cm³

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Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

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Structure

Formula: ScH₅
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 3.350 Å3.350 Å5.500 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 53.45 Å³
Density: 3.11 g/cm³

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ScH6 in P63/mmc symmetry at 140 GPa, from Belli, Zurek & Errea (npj Comput. Mater. 2026). AB class: QNEs enhance Tc (88 to 99 K).

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Size: 1.23 KB
Type: .cif file
Downloads: 0

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2

Included in datasets

CIF calculated properties

Linked from

Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

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ScH6 P63/mmc (140 GPa) structure

Overview

Structure

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Structure

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