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Mn3Bi magnetic moments

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Mn3Bi (P6_3/mmc) - DFT relaxed

From H12 anchor: D019-type Mn3Bi (P6_3/mmc)

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Structure

Formula: Mn₃Bi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 6.025 Å6.025 Å4.986 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 156.74 Å³
Density: 7.92 g/cm³

Attribution

Derived

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Results

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Mn3Bi (P6_3/mmc): Orb phase diagram (474 meV/atom above hull)Phase diagram
Calculate energy above the convex hull

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Structure

Formula: Mn₃Bi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 6.025 Å6.025 Å4.986 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 156.74 Å³
Density: 7.92 g/cm³

Properties

Curie temperature

Energy above hull

0.474 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

0.474 eV/atomOrb v3 hull
Calculate energy above the convex hull

Saturation magnetization

Attribution

ARR license

Converged Mulliken magnetic moments as a magCIF (_atom_site_moment) for visualization

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Stats

Size: 1.59 KB
Type: .cif file
Downloads: 2

Properties

Curie temperature

Energy above hull

0.474 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

0.474 eV/atomOrb v3 hull
Calculate energy above the convex hull

Saturation magnetization

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DataData

DataData

Overview

Derived

Results

Mn3Bi magnetic moments

Overview

Structure

Attribution

Derived

Results

Actions

Structure

Properties

Curie temperature

Energy above hull

Formation energy

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Energy above hull

Formation energy

Saturation magnetization

Actions

Data

Data