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U₂Fe₂Sn U₃Si₂-type variant (P4/mbm)

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U₂Fe₂Sn U₃Si₂-type variant (P4/mbm) - relaxed

2020

Structure

Formula: U₂Fe₂Sn
Space group: P4/mbm (127)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 7.500 Å7.500 Å3.800 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 213.75 Å³
Density: 10.98 g/cm³

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U2Fe2Sn phase diagram.html
Calculate energy above the convex hull

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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: U₂Fe₂Sn
Space group: P4/mbm (127)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 7.500 Å7.500 Å3.800 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 213.75 Å³
Density: 10.98 g/cm³

Attribution

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U₂Fe₂Sn (Fe₂SnU₂) U₃Si₂-type variant structure (P4/mbm, No. 127, 10 atoms) built from U₃Si₂-type ternary variant. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025).

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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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Quantum materials outreach cycle and Schmidt Futures sponsor prospect

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Predict a crystal property with ALIGNN, Success

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Overview

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U₂Fe₂Sn U₃Si₂-type variant (P4/mbm)

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Completed assets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Completed assets

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Data

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