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-7315
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['B', 'Ce', 'Ir']
  • Chemical System: B-Ce-Ir
  • Density: 11.733819437379372
  • Atomic Density: 0.06468906528414319
  • Unit Cell Volume: 154.58563137487837
  • Molar Volume: 9.3093643161299
  • Full Formula: Ce2 B4 Ir4
  • Reduced Formula: Ce(BIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm