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template-Mn2CdO4 - relaxed

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Version of · via Relax a crystal structure

template-Mn2CdO4

1111

Structure

Formula: Mn₂CdO₄
Space group: I4_1/amd (141)
Crystal system: Tetragonal
Atoms per cell: 14
Lattice a, b, c: 5.953 Å5.953 Å6.521 Å
Angles α, β, γ: 117.16°117.16°90.00°
Volume: 176.51 Å³
Density: 5.39 g/cm³

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Structure

Formula: Mn₂CdO₄
Space group: I4_1/amd (141)
Crystal system: Tetragonal
Atoms per cell: 14
Lattice a, b, c: 5.953 Å5.953 Å6.521 Å
Angles α, β, γ: 117.16°117.16°90.00°
Volume: 176.51 Å³
Density: 5.39 g/cm³

Properties

Curie temperature

101 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.06 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 = -91.8290 eV; energy change = -0.2052 eV; symmetry: I4_1/amd → I4_1/amd

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Size: 1.16 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

101 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.06 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Mn2CdO4 - 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