inSep 12

Mn3Bi (P6_3/mmc) - DFT relaxed

Data Docs Logs

Overview

Version of · via DFT structure relaxation

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

Has a version

Mn3Bi magnetic moments

1111

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

1

Results

1

Mn3Bi phase diagram.html
Calculate energy above the convex hull

Connections

4

Included in datasets

Rare-earth-free magnet candidates

Linked from

Actions

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

406 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

2.76 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

Attribution

ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -22226.6894 eV; energy change = -0.5488 eV

11

Stats

Size: 1.08 KB
Type: .cif file
Downloads: 2

Properties

Curie temperature

406 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

2.76 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

Join to comment

50

Connections

4

Included in datasets

Rare-earth-free magnet candidates

DataData

DataData

Overview

Derived

Results

Mn3Bi (P6_3/mmc) - DFT relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Connections

Included in datasets

Linked from

Actions

Data

Data