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template-K2MnF4 1 - relaxed

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Version of · via Relax a crystal structure

template-K2MnF4 1

1010

Structure

Formula: K₂MnF₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 4.245 Å4.245 Å7.364 Å
Angles α, β, γ: 106.75°106.75°90.00°
Volume: 121.16 Å³
Density: 2.87 g/cm³

Attribution

Derived

1

Results

1

K2MnF4 phase diagram 1.html
Calculate energy above the convex hull

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Included in datasets

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Structure

Formula: K₂MnF₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 4.245 Å4.245 Å7.364 Å
Angles α, β, γ: 106.75°106.75°90.00°
Volume: 121.16 Å³
Density: 2.87 g/cm³

Properties

Curie temperature

41 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.46 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -36.4667 eV; energy change = -0.0672 eV; symmetry: I4/mmm → I4/mmm

10

Stats

Size: 906 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

41 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.46 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

Derived

Results

template-K2MnF4 1 - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data