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-757876
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Si', 'Zr']
  • Chemical System: Si-Zr
  • Density: 5.28140646806452
  • Atomic Density: 0.05331574295835661
  • Unit Cell Volume: 225.07423387821595
  • Molar Volume: 11.295239315531475
  • Full Formula: Zr6 Si6
  • Reduced Formula: ZrSi
  • Formula Anonymous: AB
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m