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-757869
  • 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: 5.8002912552953285
  • Atomic Density: 0.04977379428992063
  • Unit Cell Volume: 241.09072195908604
  • Molar Volume: 12.099018863063659
  • Full Formula: Zr8 Si4
  • Reduced Formula: Zr2Si
  • Formula Anonymous: AB2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm