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-1280350
  • 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: 8
  • Number of elements: 2
  • Element list: ['Te', 'Zr']
  • Chemical System: Te-Zr
  • Density: 7.566144765411418
  • Atomic Density: 0.04541995335193167
  • Unit Cell Volume: 176.1340426312826
  • Molar Volume: 13.258799966917808
  • Full Formula: Zr6 Te2
  • Reduced Formula: Zr3Te
  • Formula Anonymous: AB3
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m