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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21265
  • 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: 22
  • Number of elements: 3
  • Element list: ['K', 'Hg', 'S']
  • Chemical System: Hg-K-S
  • Density: 2.829922113968927
  • Atomic Density: 0.03327135968678777
  • Unit Cell Volume: 661.229363846417
  • Molar Volume: 18.100074107856262
  • Full Formula: K12 Hg2 S8
  • Reduced Formula: K6HgS4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm