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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14158
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['B', 'N', 'F']
  • Chemical System: B-F-N
  • Density: 2.4226675740425296
  • Atomic Density: 0.0825183184297763
  • Unit Cell Volume: 484.74085222713666
  • Molar Volume: 7.2979441105854415
  • Full Formula: B4 N4 F32
  • Reduced Formula: BNF8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m