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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115477
  • 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: ['B', 'Br', 'N']
  • Chemical System: B-Br-N
  • Density: 3.9987438810877327
  • Atomic Density: 0.06898569787375752
  • Unit Cell Volume: 86.97454957953579
  • Molar Volume: 8.729549668426056
  • Full Formula: B2 Br2 N2
  • Reduced Formula: BBrN
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm