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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88321
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['B', 'H', 'C', 'S', 'N']
  • Chemical System: B-C-H-N-S
  • Density: 1.376365096954686
  • Atomic Density: 0.09425384585678558
  • Unit Cell Volume: 424.38586602373954
  • Molar Volume: 6.389278554373652
  • Full Formula: B4 H20 C4 S4 N8
  • Reduced Formula: BH5CSN2
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm