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-1126757
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Cd', 'Co', 'Ir']
  • Chemical System: Cd-Co-Ir
  • Density: 22.112574441915644
  • Atomic Density: 0.0990162479482573
  • Unit Cell Volume: 60.5961155298008
  • Molar Volume: 6.081972287161374
  • Full Formula: Cd1 Co2 Ir3
  • Reduced Formula: CdCo2Ir3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m