Sep 12

Mn3Bi (P6_3/mmc) - DFT relaxed

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Overview

Created by route

DFT structure relaxation

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Structure

Formula: Mn₃Bi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 8

Structure

Formula: Mn₃Bi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 8

Lattice a, b, c

6.025 Å, 6.025 Å, 4.986 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

156.74 Å³

Density

7.92 g/cm³

Attribution

Connections

7

Inputs

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

Derived assets

Included in datasets

Rare-earth-free magnet candidates

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Estimate raw material cost per kgsuccess
Predict Curie temperature from a CIFsuccess
Magnetic momentssuccess

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

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

Created by route

DFT structure relaxation

47

Connections

7

Inputs

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

Derived assets

Included in datasets

Rare-earth-free magnet candidates

Linked from

Actions

Estimate raw material cost per kgsuccess
Predict Curie temperature from a CIFsuccess
Magnetic momentssuccess

DataData

DataData

Overview

Mn3Bi (P6_3/mmc) - DFT relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Linked from

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

Linked from

Actions

Data

Data