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-1457896
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ac', 'B', 'Ir']
  • Chemical System: Ac-B-Ir
  • Density: 10.43904111258031
  • Atomic Density: 0.0815619587395831
  • Unit Cell Volume: 73.56370657008412
  • Molar Volume: 7.383516596539723
  • Full Formula: Ac1 B4 Ir1
  • Reduced Formula: AcB4Ir
  • Formula Anonymous: ABC4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm