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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9461
  • 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: 13
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Tl', 'Cr', 'O']
  • Chemical System: Ba-Cr-O-Tl-Y
  • Density: 6.558366139007431
  • Atomic Density: 0.06549557990632215
  • Unit Cell Volume: 198.4866767893926
  • Molar Volume: 9.194728512387284
  • Full Formula: Ba2 Y1 Tl1 Cr2 O7
  • Reduced Formula: Ba2YTlCr2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm