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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58042
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Tl', 'Co', 'O']
  • Chemical System: Ba-Co-O-Tl
  • Density: 6.744303519381817
  • Atomic Density: 0.06875188210827983
  • Unit Cell Volume: 174.54067629887956
  • Molar Volume: 8.759237675145405
  • Full Formula: Ba2 Tl1 Co2 O7
  • Reduced Formula: Ba2TlCo2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm