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-120010
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ru', 'C', 'Br']
  • Chemical System: Br-C-Ru
  • Density: 5.104178413691617
  • Atomic Density: 0.047783188328442916
  • Unit Cell Volume: 62.783587804546976
  • Molar Volume: 12.60305343922671
  • Full Formula: Ru1 C1 Br1
  • Reduced Formula: RuCBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm