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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26767
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Sn', 'Hg', 'S']
  • Chemical System: Ba-Hg-S-Sn
  • Density: 4.860571477936915
  • Atomic Density: 0.035031949653531284
  • Unit Cell Volume: 799.2703882290933
  • Molar Volume: 17.190424225769455
  • Full Formula: Ba4 Sn4 Hg4 S16
  • Reduced Formula: BaSnHgS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2