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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107576
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Bi', 'Pb', 'Br', 'O']
  • Chemical System: Bi-Br-O-Pb
  • Density: 8.394964596205872
  • Atomic Density: 0.04786713390147546
  • Unit Cell Volume: 104.45580490136426
  • Molar Volume: 12.58095120630227
  • Full Formula: Bi1 Pb1 Br1 O2
  • Reduced Formula: BiPbBrO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm