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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98262
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Ba', 'Tl', 'Cu', 'Hg', 'O']
  • Chemical System: Ba-Cu-Hg-O-Tl
  • Density: 7.333967967172406
  • Atomic Density: 0.05804303739629901
  • Unit Cell Volume: 327.34331027982165
  • Molar Volume: 10.37530258604969
  • Full Formula: Ba4 Tl2 Cu2 Hg1 O10
  • Reduced Formula: Ba4Tl2Cu2HgO10
  • Formula Anonymous: AB2C2D4E10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm