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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10713
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ba', 'C', 'S', 'N']
  • Chemical System: Ba-C-N-S
  • Density: 2.848564204485193
  • Atomic Density: 0.047370834979533184
  • Unit Cell Volume: 295.5404946112682
  • Molar Volume: 12.712760420207704
  • Full Formula: Ba2 C4 S4 N4
  • Reduced Formula: BaC2(SN)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m