Jul 1

Fe2MnSn pristine D019 (P63/mmc) - relaxed

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Overview

Created by route

Relax a crystal structure

33

Structure

Formula: MnFe₂Sn
Space group: Cmcm (63)
Crystal system: Orthorhombic
Atoms per cell: 8

Structure

Formula: MnFe₂Sn
Space group: Cmcm (63)
Crystal system: Orthorhombic
Atoms per cell: 8

Lattice a, b, c

5.436 Å, 5.427 Å, 3.729 Å

Angles α, β, γ

90.05°, 89.98°, 91.01°

Volume

109.99 Å³

Density

8.62 g/cm³

Attribution

Connections

6

Inputs

Fe2MnSn pristine D019 (P63/mmc).cif

Included in datasets

Linked from

ML vs DFT on interstitially doped Fe₂MnSn: where the prediction routes break

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Content-Driven Outreach: Next Cycle — Permanent Magnets

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Predict Curie temperature from a CIFsuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -58.8382 eV; energy change = -16.8343 eV; symmetry: Cmcm → Cmcm

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Size: 958 B
Type: .cif file
Downloads: 0

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47

Created by route

Relax a crystal structure

Connections

6

Inputs

Fe2MnSn pristine D019 (P63/mmc).cif

Included in datasets

Linked from

ML vs DFT on interstitially doped Fe₂MnSn: where the prediction routes break

Completed assets

Content-Driven Outreach: Next Cycle — Permanent Magnets

Actions

Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

Fe2MnSn pristine D019 (P63/mmc) - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Included in datasets

Linked from

Completed assets

Actions

Stats

Connections

Inputs

Included in datasets

Linked from

Completed assets

Actions

Data

Data