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-824470
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Li', 'O', 'Zr']
  • Chemical System: Li-O-Zr
  • Density: 3.787276072126113
  • Atomic Density: 0.08221950148185128
  • Unit Cell Volume: 255.41385707179742
  • Molar Volume: 7.324467615908979
  • Full Formula: Li6 Zr4 O11
  • Reduced Formula: Li6Zr4O11
  • Formula Anonymous: A4B6C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1