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template-Mn6Sb7Mo6 7 - relaxed

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Version of · via Relax a crystal structure

template-Mn6Sb7Mo6 7

88

Structure

Formula: Mn₆Sb₇Mo₆
Space group: P-6 (174)
Crystal system: Hexagonal
Atoms per cell: 19
Lattice a, b, c: 10.999 Å10.999 Å3.273 Å
Angles α, β, γ: 90.00°90.04°120.03°
Volume: 342.78 Å³
Density: 8.51 g/cm³

Attribution

Derived

1

Results

1

Mn6Sb7Mo6 phase diagram 7.html
Calculate energy above the convex hull

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2

Included in datasets

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Structure

Formula: Mn₆Sb₇Mo₆
Space group: P-6 (174)
Crystal system: Hexagonal
Atoms per cell: 19
Lattice a, b, c: 10.999 Å10.999 Å3.273 Å
Angles α, β, γ: 90.00°90.04°120.03°
Volume: 342.78 Å³
Density: 8.51 g/cm³

Properties

Curie temperature

232 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.47 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 = -144.3613 eV; energy change = -17.8772 eV; symmetry: P-6 → P-6

Properties

Curie temperature

232 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.47 TCHGNet
Estimate magnetic moments and Ms from a CIF

8

Stats

Size: 1.39 KB
Type: .cif file
Downloads: 0

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DataData

DataData

Overview

Derived

Results

template-Mn6Sb7Mo6 7 - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Properties

Curie temperature

Saturation magnetization

Stats

Connections

Included in datasets

Actions

Data

Data