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-692438
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Li', 'O', 'Zr']
  • Chemical System: Li-O-Zr
  • Density: 4.794150408005773
  • Atomic Density: 0.09104860911749331
  • Unit Cell Volume: 98.84829748893787
  • Molar Volume: 6.614204015163761
  • Full Formula: Li1 Zr2 O6
  • Reduced Formula: LiZr2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1