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-1449566
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['B', 'Ru', 'Sc']
  • Chemical System: B-Ru-Sc
  • Density: 9.243701924963526
  • Atomic Density: 0.1965040625368104
  • Unit Cell Volume: 223.91394575752162
  • Molar Volume: 3.0646393169972725
  • Full Formula: Sc12 B28 Ru4
  • Reduced Formula: Sc3B7Ru
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm