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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98907
  • 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: 60
  • Number of elements: 4
  • Element list: ['B', 'H', 'N', 'O']
  • Chemical System: B-H-N-O
  • Density: 1.6363541335215177
  • Atomic Density: 0.10862792094132727
  • Unit Cell Volume: 552.344180760005
  • Molar Volume: 5.543824007506056
  • Full Formula: B10 H24 N2 O24
  • Reduced Formula: B5H12NO12
  • Formula Anonymous: AB5C12D12
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2