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Jun 30

ScH6 P63/mmc (140 GPa) structure

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Structure

Formula: ScH₅
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12

Structure

Formula: ScH₅
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12

Lattice a, b, c

3.350 Å, 3.350 Å, 5.500 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

53.45 Å³

Density

3.11 g/cm³

Attribution

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3

Derived assets

ScH6 P63/mmc (140 GPa) structure - relaxed.cif

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CIF calculated properties

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

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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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ScH6 P63/mmc (140 GPa) structure · ScH5 P6_3/mmc crystal structure · Files on Ouro

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Type: .cif file
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Derived assets

ScH6 P63/mmc (140 GPa) structure - relaxed.cif

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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Overview

ScH6 P63/mmc (140 GPa) structure

Overview

Structure

Structure

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