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-1450040
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['W', 'Zr']
  • Chemical System: W-Zr
  • Density: 9.955985386463288
  • Atomic Density: 0.04910590471637445
  • Unit Cell Volume: 61.0924494177916
  • Molar Volume: 12.263577658904037
  • Full Formula: Zr2 W1
  • Reduced Formula: Zr2W
  • Formula Anonymous: AB2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm