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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33308
  • 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: 36
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'N']
  • Chemical System: B-C-H-N
  • Density: 1.123589991334829
  • Atomic Density: 0.10898965862992736
  • Unit Cell Volume: 330.30656717842766
  • Molar Volume: 5.525424004169131
  • Full Formula: B4 H20 C4 N8
  • Reduced Formula: BH5CN2
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2