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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109022
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Tc', 'O']
  • Chemical System: Ba-O-Tc
  • Density: 6.933066508194236
  • Atomic Density: 0.06824052291323243
  • Unit Cell Volume: 131.88644541079302
  • Molar Volume: 8.824874873331686
  • Full Formula: Ba2 Tc2 O5
  • Reduced Formula: Ba2Tc2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm