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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-109400
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hg', 'I', 'Br']
  • Chemical System: Br-Hg-I
  • Density: 6.250492996165515
  • Atomic Density: 0.026206633869074347
  • Unit Cell Volume: 228.94966327897677
  • Molar Volume: 22.979451653676687
  • Full Formula: Hg2 I3 Br1
  • Reduced Formula: Hg2I3Br
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m