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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9265
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Tl', 'O']
  • Chemical System: Ba-O-Ti-Tl
  • Density: 5.567068214489314
  • Atomic Density: 0.05857997872017272
  • Unit Cell Volume: 204.84814542733278
  • Molar Volume: 10.28020305156957
  • Full Formula: Ba2 Ti2 Tl1 O7
  • Reduced Formula: Ba2Ti2TlO7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm