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-914286
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Te', 'Zn', 'Zr']
  • Chemical System: Te-Zn-Zr
  • Density: 6.499581929297347
  • Atomic Density: 0.041312652583873885
  • Unit Cell Volume: 72.61697839201518
  • Molar Volume: 14.576988848086465
  • Full Formula: Zr1 Zn1 Te1
  • Reduced Formula: ZrZnTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m