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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24650
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Hg', 'S']
  • Chemical System: Ba-Hg-S
  • Density: 5.851582444239015
  • Atomic Density: 0.035059635475583766
  • Unit Cell Volume: 456.3652697171573
  • Molar Volume: 17.17684932632554
  • Full Formula: Ba4 Hg4 S8
  • Reduced Formula: BaHgS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2