Docs
Blog

Join for free Open app

Teams
Search

Assets

Posts
APIs
Data

Loading...

Fe8N (P6_3/mmc) 1 - relaxed · Files on Ouro

14d

Fe8N (P6_3/mmc) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2050 eV; symmetry: P6_3/mmc → P6_3/mmc

1.27 KB

.cif file

7 views

0 comments

Relax a crystal structure

1 input asset

Fe8N (P6_3/mmc) 1
.cif file
Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm) (missed expected composition: Fe16N2)
14d

1 derivative asset

Fe8N phase diagram 3
.html file
Phase diagram of Fe8N; e_above_hull: 1.507826 eV/atom; predicted_stable: False
14d