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-556976
  • Created at: Sept. 4, 2022, 3:14 p.m.
  • Last updated at: Sept. 4, 2022, 3:14 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['W', 'Y', 'Zr']
  • Chemical System: W-Y-Zr
  • Density: 8.687697294042172
  • Atomic Density: 0.04597473010944523
  • Unit Cell Volume: 87.00431716462049
  • Molar Volume: 13.098806117325717
  • Full Formula: Y1 Zr2 W1
  • Reduced Formula: YZr2W
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m