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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29551
  • 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: 18
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'Se', 'Br']
  • Chemical System: As-Br-Hg-Se
  • Density: 6.984560043977448
  • Atomic Density: 0.0352989059403061
  • Unit Cell Volume: 509.9308185483074
  • Molar Volume: 17.060417595332922
  • Full Formula: Hg6 As2 Se8 Br2
  • Reduced Formula: Hg3AsSe4Br
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm