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-1281335
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 22
  • Number of elements: 2
  • Element list: ['O', 'Zr']
  • Chemical System: O-Zr
  • Density: 6.1154114350545745
  • Atomic Density: 0.08494726755195432
  • Unit Cell Volume: 258.984198479894
  • Molar Volume: 7.089269535734998
  • Full Formula: Zr8 O14
  • Reduced Formula: Zr4O7
  • Formula Anonymous: A4B7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m