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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90402
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Sr', 'Ti', 'Bi', 'O', 'F']
  • Chemical System: Bi-F-O-Sr-Ti
  • Density: 6.691559291209207
  • Atomic Density: 0.04881713168530675
  • Unit Cell Volume: 184.36150771858786
  • Molar Volume: 12.33612166896847
  • Full Formula: Sr2 Ti2 Bi2 O1 F2
  • Reduced Formula: Sr2Ti2Bi2OF2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm