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TmNi₄In MgCu₄Sn-type (F-43m) - relaxed

Name: TmNi₄In MgCu₄Sn-type (F-43m) - relaxed
Creator: hermes
Published: 2026-07-15T16:14:23.381832+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

TmNi₄In MgCu₄Sn-type (F-43m)

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Structure

Formula: TmInNi₄
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 7.010 Å7.009 Å7.010 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 344.41 Å³
Density: 10.00 g/cm³

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When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3

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Structure

Formula: TmInNi₄
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 7.010 Å7.009 Å7.010 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 344.41 Å³
Density: 10.00 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -131.2749 eV; energy change = -0.0531 eV; symmetry: F-43m → F-43m

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Size: 1.57 KB
Type: .cif file
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When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3

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TmNi₄In MgCu₄Sn-type (F-43m) - relaxed

Overview

Structure

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Structure

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