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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58508
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Tl
  • Density: 7.089649026123571
  • Atomic Density: 0.06368919911448206
  • Unit Cell Volume: 219.81749173568411
  • Molar Volume: 9.455513405303046
  • Full Formula: Ba2 Tl2 Cu2 O8
  • Reduced Formula: BaTlCuO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm