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template-MnSn2 1 - relaxed

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Version of · via Relax a crystal structure

template-MnSn2 1

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Structure

Formula: MnSn₂
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 5.426 Å5.426 Å5.426 Å
Angles α, β, γ: 104.56°104.56°119.81°
Volume: 119.91 Å³
Density: 8.10 g/cm³

Attribution

Derived

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Results

1

MnSn2 phase diagram 1.html
Calculate energy above the convex hull

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Included in datasets

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Structure

Formula: MnSn₂
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 5.426 Å5.426 Å5.426 Å
Angles α, β, γ: 104.56°104.56°119.81°
Volume: 119.91 Å³
Density: 8.10 g/cm³

Properties

Curie temperature

336 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

0.85 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -34.1638 eV; energy change = -0.0046 eV; symmetry: I4/mcm → I4/mcm

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Stats

Size: 870 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

336 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

0.85 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

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Connections

3

DataData

DataData

Overview

Derived

Results

template-MnSn2 1 - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data