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-598035
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 1
  • Element list: ['B']
  • Chemical System: B
  • Density: 2.4973031704685136
  • Atomic Density: 0.13910934435438774
  • Unit Cell Volume: 86.26307640002545
  • Molar Volume: 4.329069903929895
  • Full Formula: B12
  • Reduced Formula: B
  • Formula Anonymous: A
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m