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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-401918
  • Created at: Sept. 4, 2022, 2:56 p.m.
  • Last updated at: Sept. 4, 2022, 2:56 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ac', 'Fe', 'Ir']
  • Chemical System: Ac-Fe-Ir
  • Density: 11.413488560853612
  • Atomic Density: 0.03916100555213821
  • Unit Cell Volume: 102.14242314780392
  • Molar Volume: 15.377901244088939
  • Full Formula: Ac2 Fe1 Ir1
  • Reduced Formula: Ac2FeIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m