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template-K3Co2F7 - relaxed

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Version of · via Relax a crystal structure

template-K3Co2F7

88

Structure

Formula: K₃Co₂F₇
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 12
Lattice a, b, c: 11.058 Å11.058 Å11.058 Å
Angles α, β, γ: 158.44°158.44°30.68°
Volume: 182.54 Å³
Density: 3.35 g/cm³

Attribution

Connections

2

Included in datasets

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Structure

Formula: K₃Co₂F₇
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 12
Lattice a, b, c: 11.058 Å11.058 Å11.058 Å
Angles α, β, γ: 158.44°158.44°30.68°
Volume: 182.54 Å³
Density: 3.35 g/cm³

Properties

Curie temperature

49 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.37 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -56.4615 eV; energy change = -0.1261 eV; symmetry: I4/mmm → I4/mmm

ARR license

8

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Size: 1.08 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

49 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.37 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

template-K3Co2F7 - relaxed

Overview

Structure

Attribution

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