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-758475
  • 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: 2
  • Number of elements: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.476017094191277
  • Atomic Density: 0.042751344513355514
  • Unit Cell Volume: 46.782154403943956
  • Molar Volume: 14.086435943830221
  • Full Formula: Zr2
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm