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

5views

Details

Comments

Similar

Actions

Chat

Mn2FeGe (Pmm2) - relaxed 1 · Pmm2 crystal structure · Files on Ouro

Apr 5

Mn2FeGe (Pmm2) - relaxed 1

Data Docs Logs

Overview

Created by route

Relax a crystal structure

5views5views

Structure

Formula: Mn₂FeGe
Space group: Pmm2 (25)
Crystal system: Orthorhombic
Atoms per cell: 4

Structure

Formula: Mn₂FeGe
Space group: Pmm2 (25)
Crystal system: Orthorhombic
Atoms per cell: 4

Lattice a, b, c

2.623 Å, 3.695 Å, 5.032 Å

Angles α, β, γ

90.00°, 90.01°, 90.01°

Volume

48.76 Å³

Density

8.12 g/cm³

Attribution

Connections

1

Inputs

Mn2FeGe (Pmm2).cif

Actions

Join to comment

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; energy change = -0.0116 eV; symmetry: Pmm2 → Pmm2

ARR license

5views

Stats

Size: 797 B
Type: .cif file
Downloads: 0

Join to comment

47

Created by route

Relax a crystal structure

Connections

1

Inputs

Mn2FeGe (Pmm2).cif

DataData

DataData

Overview

Mn2FeGe (Pmm2) - relaxed 1

Overview

Structure

Structure

Attribution

Connections

Inputs

Actions

Stats

Connections

Inputs

Actions

Data

Data