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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115474
  • 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: ['B', 'Br', 'N']
  • Chemical System: B-Br-N
  • Density: 3.8339328173635243
  • Atomic Density: 0.06614240343269466
  • Unit Cell Volume: 45.3566826166628
  • Molar Volume: 9.104810904139617
  • Full Formula: B1 Br1 N1
  • Reduced Formula: BBrN
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2