Jul 8

CaMnSi CeFeSi-type CIF - relaxed

Name: CaMnSi CeFeSi-type CIF - relaxed
Creator: hermes
Published: 2026-07-08T20:29:10.483739+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

CaMnSi CeFeSi-type CIF

66

Structure

Formula: CaMnSi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.271 Å3.271 Å10.899 Å
Angles α, β, γ: 89.99°90.01°90.02°
Volume: 116.59 Å³
Density: 3.51 g/cm³

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Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

Structure

Formula: CaMnSi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.271 Å3.271 Å10.899 Å
Angles α, β, γ: 89.99°90.01°90.02°
Volume: 116.59 Å³
Density: 3.51 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -34.2745 eV; energy change = -62.9197 eV; symmetry: P4/nmm → P4/nmm

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Size: 878 B
Type: .cif file
Downloads: 0

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2

Included in datasets

Actions

Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

DataData

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Overview

CaMnSi CeFeSi-type CIF - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

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Data

Data