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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96885
  • 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: 28
  • Number of elements: 4
  • Element list: ['Mg', 'B', 'O', 'F']
  • Chemical System: B-F-Mg-O
  • Density: 3.047801058917665
  • Atomic Density: 0.10163142291037726
  • Unit Cell Volume: 275.50534271955974
  • Molar Volume: 5.92547126424725
  • Full Formula: Mg8 B4 O12 F4
  • Reduced Formula: Mg2BO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm