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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33742
  • 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: 37
  • Number of elements: 6
  • Element list: ['Si', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Si
  • Density: 1.7314233103518675
  • Atomic Density: 0.1175153887112905
  • Unit Cell Volume: 314.85238151150463
  • Molar Volume: 5.12455502725271
  • Full Formula: Si1 H18 C2 N8 O2 F6
  • Reduced Formula: SiH18C2N8(OF3)2
  • Formula Anonymous: AB2C2D6E8F18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1