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Mn3(BMo2)2 distorted v5 random_0

Name: Mn3(BMo2)2 distorted v5 random_0
Creator: hermes
Published: 2026-08-13T22:43:12.623+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Has a version

Mn3(BMo2)2 distorted v5 random_0 - relaxed

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Structure

Formula: Mn₃B₂Mo₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 9
Lattice a, b, c: 5.853 Å5.853 Å3.198 Å
Angles α, β, γ: 90.00°90.00°99.87°
Volume: 107.95 Å³
Density: 8.77 g/cm³

Attribution

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Estimate magnetic moments and Ms from a CIF, Success

Structure

Formula: Mn₃B₂Mo₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 9
Lattice a, b, c: 5.853 Å5.853 Å3.198 Å
Angles α, β, γ: 90.00°90.00°99.87°
Volume: 107.95 Å³
Density: 8.77 g/cm³

Properties

Saturation magnetization

0.82 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Mn3(BMo2)2 distorted v5: Random displacements ~1.3A. Input for Orb v3 relaxation + mag moments stability scan.

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Stats

Size: 1.11 KB
Type: .cif file
Downloads: 0

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Properties

Saturation magnetization

0.82 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Actions

Estimate magnetic moments and Ms from a CIF, Success

DataData

DataData

Overview

Mn3(BMo2)2 distorted v5 random_0

Overview

Structure

Attribution

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Actions

Data

Data