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Gd₂O₃ bixbyite (Ia-3)

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Gd₂O₃ bixbyite (Ia-3) - relaxed

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Structure

Formula: Gd₂O₃
Space group: Ia-3 (206)
Crystal system: Cubic
Atoms per cell: 80
Lattice a, b, c: 10.812 Å10.812 Å10.812 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1263.92 Å³
Density: 7.62 g/cm³

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Gd2O3 phase diagram.html
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Structure

Formula: Gd₂O₃
Space group: Ia-3 (206)
Crystal system: Cubic
Atoms per cell: 80
Lattice a, b, c: 10.812 Å10.812 Å10.812 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1263.92 Å³
Density: 7.62 g/cm³

Attribution

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Gd₂O₃ bixbyite structure (Ia-3, No. 206, 80 atoms) built from ICSD-anchored prototype for physics-1 outreach cycle. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025).

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Size: 4.68 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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Quantum materials outreach cycle and Schmidt Futures sponsor prospect

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Predict a crystal property with ALIGNN, Success

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Gd₂O₃ bixbyite (Ia-3)

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