Ouro
  • Docs
  • Blog
Join for freeSign in
  • Home
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
  • Home
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
2mo
115 views

On this page

  • PyXtal (Py-Crystal I guess?) Early Testing
Loading compatible actions...

Cm space group PyXtal outputs

PyXtal (Py-Crystal I guess?) Early Testing

A portion of our 2nd iteration of the tree search approach is playing around with new structure generation methods. It's still very early but I wanted to share my new favorite space group.

Fe16Co8Si4 (Cm)

.cif file

Fe16Co8Si4 (requested SG: F-43m #216, calculated SG: Cm #8, optimized: 358 steps, cell relaxed (isotropic))

2mo

Fe16Co8Si4 (Cm) - 3x3x3 supercell

.cif file

Supercell 3x3x3 of Fe4Co2Si (Space group: P1, 108 symmetry operations)

2mo
Loading comments...