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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-86883
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ce', 'B', 'C', 'Br']
  • Chemical System: B-Br-C-Ce
  • Density: 6.532720678940343
  • Atomic Density: 0.04839573243244957
  • Unit Cell Volume: 289.28170514912864
  • Molar Volume: 12.443536769291926
  • Full Formula: Ce6 B2 C3 Br3
  • Reduced Formula: Ce6B2(CBr)3
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m