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 DFT structure relaxation

FeNi B2 cubic null control (Pm-3m)

8views

Details

Comments

Similar

Actions

Chat

FeNi (Pm-3m) - DFT relaxed · Pm-3m crystal structure · Files on Ouro

Sep 5

FeNi (Pm-3m) - DFT relaxed

Data Docs Logs

Overview

Version of · via DFT structure relaxation

FeNi B2 cubic null control (Pm-3m)

8views8views

Structure

Formula: FeNi
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.869 Å2.869 Å2.869 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.62 Å³
Density: 8.05 g/cm³

Attribution

Actions

Join to comment

Structure

Formula: FeNi
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.869 Å2.869 Å2.869 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.62 Å³
Density: 8.05 g/cm³

Attribution

ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -7973.6967 eV; energy change = -0.0423 eV

8views

Stats

Size: 770 B
Type: .cif file
Downloads: 0

Join to comment

50

DataData

DataData

Overview

FeNi (Pm-3m) - DFT relaxed

Overview

Structure

Attribution

Actions

Structure

Attribution

Stats

Actions

Data

Data