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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33330
  • 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: 27
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Si
  • Density: 1.7600494358031098
  • Atomic Density: 0.10913210248298731
  • Unit Cell Volume: 247.40657776852646
  • Molar Volume: 5.518211986192418
  • Full Formula: Si1 H12 C2 N6 F6
  • Reduced Formula: SiH12C2(NF)6
  • Formula Anonymous: AB2C6D6E12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m