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-31105
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Te', 'Zr']
  • Chemical System: Te-Zr
  • Density: 6.717256504359853
  • Atomic Density: 0.04032403377684964
  • Unit Cell Volume: 297.5892755771199
  • Molar Volume: 14.934370884932052
  • Full Formula: Zr9 Te3
  • Reduced Formula: Zr3Te
  • Formula Anonymous: AB3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m