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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24541
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['B', 'S', 'F']
  • Chemical System: B-F-S
  • Density: 2.5491702581398115
  • Atomic Density: 0.07856213494192092
  • Unit Cell Volume: 458.23601951008493
  • Molar Volume: 7.66544947442177
  • Full Formula: B4 S4 F28
  • Reduced Formula: BSF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm