Sep 29

SmCo5 (mp-1429, P6/mmm)

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SmCo5 FiM magnetic moments

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Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 3.963 Å4.968 Å4.968 Å
Angles α, β, γ: 60.00°90.00°90.00°
Volume: 84.70 Å³
Density: 8.72 g/cm³

Attribution

Derived

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Results

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SmCo5 phase diagramPhase diagram
Calculate energy above the convex hull

Connections

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Linked from

Nd and Sm on Ouro DFT: matched 4f bases, SmCo₅ gets the right spin order, and why +U isn't ready yet

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Magnetic moments, Error
Magnetic moments, Error
Magnetic moments, Error

Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 3.963 Å4.968 Å4.968 Å
Angles α, β, γ: 60.00°90.00°90.00°
Volume: 84.70 Å³
Density: 8.72 g/cm³

Attribution

ARR license

Materials Project GGA structure of CaCu5-type SmCo5, unmodified. Used to check the new 4f-in-valence Sm basis on Ouro DFT (Sm spin vs Co spin ordering).

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Stats

Size: 928 B
Type: .cif file
Downloads: 0

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Connections

1

Linked from

Nd and Sm on Ouro DFT: matched 4f bases, SmCo₅ gets the right spin order, and why +U isn't ready yet

Actions

Magnetic moments, Error
Magnetic moments, Error
Magnetic moments, Error

DataData

DataData

Overview

Derived

Results

SmCo5 (mp-1429, P6/mmm)

Overview

Structure

Attribution

Derived

Results

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

Actions

Data

Data