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-1146403
  • Created at: Sept. 4, 2022, 3:48 p.m.
  • Last updated at: Sept. 4, 2022, 3:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ir', 'Pt', 'Re']
  • Chemical System: Ir-Pt-Re
  • Density: 20.75031185338186
  • Atomic Density: 0.06503387952939714
  • Unit Cell Volume: 61.50640295404625
  • Molar Volume: 9.260005405763659
  • Full Formula: Re1 Ir1 Pt2
  • Reduced Formula: ReIrPt2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m