Ouro
  • Docs
  • Blog
  • Pricing
  • Teams
Sign inJoin for free
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
  • Teams
  • Search
Assets
  • Quests
  • Posts
  • APIs
  • Data
2mo
Loading logs...

AlFeNi phase diagram 1

    Analyze Structure

    file→JSON
    8mo

    Calculate IR Spectrum

    file→JSON
    8mo

    Calculate Thermochemistry

    file→JSON
    8mo
No more results
0 views
4.65 MB
.html file

Phase diagram of AlFeNi; e_above_hull: 0.368111 eV/atom; predicted_stable: False

    1 input asset
    • AlFeNi_152520.cif - relaxed

      .cif

      Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -18.1550 eV; energy change = -8.3021 eV; symmetry: R3m → F-43m

      2mo
Calculate energy above hull
ARR license