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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88330
  • 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: ['B', 'H', 'O', 'F']
  • Chemical System: B-F-H-O
  • Density: 2.1117796414565486
  • Atomic Density: 0.10372931095738029
  • Unit Cell Volume: 269.93334614460593
  • Molar Volume: 5.80563073678793
  • Full Formula: B4 H8 O4 F12
  • Reduced Formula: BH2OF3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m