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-758103
  • 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: ['Te', 'Zr']
  • Chemical System: Te-Zr
  • Density: 7.579806095552538
  • Atomic Density: 0.044167347562343154
  • Unit Cell Volume: 271.6939246365597
  • Molar Volume: 13.63482548165162
  • Full Formula: Zr8 Te4
  • Reduced Formula: Zr2Te
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm