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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21439
  • 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: 22
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'S', 'F']
  • Chemical System: Cu-F-Hg-S
  • Density: 7.010530822787467
  • Atomic Density: 0.06886898330488053
  • Unit Cell Volume: 319.4471436090001
  • Molar Volume: 8.744343928151514
  • Full Formula: Cu4 Hg4 S2 F12
  • Reduced Formula: Cu2Hg2SF6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m