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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56546
  • 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: 20
  • Number of elements: 4
  • Element list: ['Cd', 'Bi', 'Se', 'Br']
  • Chemical System: Bi-Br-Cd-Se
  • Density: 6.678819295657802
  • Atomic Density: 0.035961804631055215
  • Unit Cell Volume: 556.145616305606
  • Molar Volume: 16.745935922246552
  • Full Formula: Cd4 Bi4 Se8 Br4
  • Reduced Formula: CdBiSe2Br
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm