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template-CsMnBi - relaxed · P4/nmm crystal structure · Files on Ouro

Jun 28

template-CsMnBi - relaxed

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Overview

Created by route

Relax a crystal structure

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Structure

Formula: CsMnBi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6

Structure

Formula: CsMnBi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6

Lattice a, b, c

4.957 Å, 4.957 Å, 9.118 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

224.09 Å³

Density

5.88 g/cm³

Attribution

Connections

3

Inputs

template-CsMnBi.cif

Derived assets

CsMnBi phase diagram.html

Included in datasets

CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -27.7178 eV; energy change = -0.0179 eV; symmetry: P4/nmm → P4/nmm

ARR license

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Stats

Size: 878 B
Type: .cif file
Downloads: 0

47

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Created by route

Relax a crystal structure

Connections

3

Inputs

template-CsMnBi.cif

Derived assets

CsMnBi phase diagram.html

Included in datasets

CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

template-CsMnBi - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

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Data

Data