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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34316
  • 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: 4
  • Element list: ['Ba', 'Pb', 'Br', 'F']
  • Chemical System: Ba-Br-F-Pb
  • Density: 6.916344791125907
  • Atomic Density: 0.051589449930281445
  • Unit Cell Volume: 348.9085466956015
  • Molar Volume: 11.673202114266362
  • Full Formula: Ba2 Pb4 Br2 F10
  • Reduced Formula: BaPb2BrF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm