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-756317
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['B', 'Zr']
  • Chemical System: B-Zr
  • Density: 6.195396027882291
  • Atomic Density: 0.057916392442388845
  • Unit Cell Volume: 207.195225633861
  • Molar Volume: 10.397990113058926
  • Full Formula: Zr8 B4
  • Reduced Formula: Zr2B
  • Formula Anonymous: AB2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm