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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33311
  • 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: 20
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'O']
  • Chemical System: B-C-H-O
  • Density: 1.1721001000498514
  • Atomic Density: 0.08642352825490002
  • Unit Cell Volume: 231.41846212308562
  • Molar Volume: 6.96817276683975
  • Full Formula: B4 H8 C4 O4
  • Reduced Formula: BH2CO
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m