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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29468
  • 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: 18
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'S', 'Cl']
  • Chemical System: As-Cl-Hg-S
  • Density: 6.224673883865601
  • Atomic Density: 0.040144087852470076
  • Unit Cell Volume: 448.38482981977774
  • Molar Volume: 15.001314221240815
  • Full Formula: Hg6 As2 S8 Cl2
  • Reduced Formula: Hg3AsS4Cl
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm