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-758332
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['W', 'Zr']
  • Chemical System: W-Zr
  • Density: 8.16452389114576
  • Atomic Density: 0.04609779873228395
  • Unit Cell Volume: 130.15805884453184
  • Molar Volume: 13.06383585683556
  • Full Formula: Zr5 W1
  • Reduced Formula: Zr5W
  • Formula Anonymous: AB5
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m