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-757773
  • 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: ['Ru', 'Zr']
  • Chemical System: Ru-Zr
  • Density: 7.769854581697948
  • Atomic Density: 0.04951130932627133
  • Unit Cell Volume: 242.36886810894026
  • Molar Volume: 12.163161996615942
  • Full Formula: Zr8 Ru4
  • Reduced Formula: Zr2Ru
  • Formula Anonymous: AB2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm