Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-21008
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['U', 'Al', 'Fe']
  • Chemical System: Al-Fe-U
  • Density: 5.9729391923389965
  • Atomic Density: 0.06904403124743269
  • Unit Cell Volume: 188.2856456253543
  • Molar Volume: 8.722174315718167
  • Full Formula: U1 Al8 Fe4
  • Reduced Formula: U(Al2Fe)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm