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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26727
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Hg', 'Cl', 'O']
  • Chemical System: Ba-Cl-Hg-O
  • Density: 6.816907449170137
  • Atomic Density: 0.044802205626225396
  • Unit Cell Volume: 624.9692310596855
  • Molar Volume: 13.441616714679965
  • Full Formula: Ba4 Hg8 Cl8 O8
  • Reduced Formula: BaHg2(ClO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm