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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11806
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'O']
  • Chemical System: Ba-Cr-O
  • Density: 5.70137277655108
  • Atomic Density: 0.05680605465910803
  • Unit Cell Volume: 316.86763159345657
  • Molar Volume: 10.601230443020103
  • Full Formula: Ba6 Cr2 O10
  • Reduced Formula: Ba3CrO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm