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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33312
  • 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: 24
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'O']
  • Chemical System: B-C-H-O
  • Density: 0.9741371788378188
  • Atomic Density: 0.1042934388501453
  • Unit Cell Volume: 230.11994104906785
  • Molar Volume: 5.774227819501619
  • Full Formula: B6 H14 C2 O2
  • Reduced Formula: B3H7CO
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1