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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91432
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Si', 'Hg', 'S', 'F']
  • Chemical System: F-Hg-S-Si
  • Density: 6.24774750960594
  • Atomic Density: 0.05588010343581847
  • Unit Cell Volume: 214.74548653587755
  • Molar Volume: 10.776896229114495
  • Full Formula: Si1 Hg3 S2 F6
  • Reduced Formula: SiHg3(SF3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1