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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117525
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'Br']
  • Chemical System: Ba-Br-Cd
  • Density: 3.3891358220165397
  • Atomic Density: 0.018574562387676737
  • Unit Cell Volume: 161.51120749904422
  • Molar Volume: 32.421440862560395
  • Full Formula: Ba1 Cd1 Br1
  • Reduced Formula: BaCdBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm