Ouro

Docs
Blog
Teams

Sign in Join for free

Teams
Search

Library

Quests
Posts
APIs
Data

Ouro

Docs
Blog
Teams

Docs
Blog
Teams

Sign in Sign in Join for free

Teams
Search

Library

Quests
Posts
APIs
Data

Docs
Blog
Teams

Sign in

Details

Comments

Similar

Actions

Chat

Overview

Version of · via Relax a crystal structure

template-SrMnAs2 2

8views

Details

Comments

Similar

Actions

Chat

inJun 29

template-SrMnAs2 2 - relaxed

Data Docs Logs

template-SrMnAs2 2 - relaxed · P2_1/m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-SrMnAs2 2

8views8views

Structure

Formula: SrMnAs₂
Space group: P2_1/m (11)
Crystal system: Monoclinic
Atoms per cell: 8
Lattice a, b, c: 3.919 Å4.009 Å11.114 Å
Angles α, β, γ: 88.52°90.22°89.96°
Volume: 174.57 Å³
Density: 5.56 g/cm³

Attribution

Connections

1

Included in datasets

RE-free permanent magnet candidates

Actions

Join to comment

Structure

Formula: SrMnAs₂
Space group: P2_1/m (11)
Crystal system: Monoclinic
Atoms per cell: 8
Lattice a, b, c: 3.919 Å4.009 Å11.114 Å
Angles α, β, γ: 88.52°90.22°89.96°
Volume: 174.57 Å³
Density: 5.56 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -45.1994 eV; energy change = -1.8411 eV; symmetry: P4/nmm → P2_1/m

ARR license

8views

Stats

Size: 960 B
Type: .cif file
Downloads: 0

50

Join to comment

Connections

1

Included in datasets

RE-free permanent magnet candidates

DataData

DataData

Overview

template-SrMnAs2 2 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data