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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120019
  • 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: ['H', 'Br', 'N']
  • Chemical System: Br-H-N
  • Density: 3.255810835446664
  • Atomic Density: 0.12011308157321403
  • Unit Cell Volume: 49.95292703686688
  • Molar Volume: 5.013725966500368
  • Full Formula: H4 Br1 N1
  • Reduced Formula: H4BrN
  • Formula Anonymous: ABC4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m