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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115717
  • 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: ['Pd', 'Se', 'Br']
  • Chemical System: Br-Pd-Se
  • Density: 6.729817559693966
  • Atomic Density: 0.0458315337309476
  • Unit Cell Volume: 65.45711556613824
  • Molar Volume: 13.139732122762387
  • Full Formula: Pd1 Se1 Br1
  • Reduced Formula: PdSeBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2