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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35433
  • 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: 7
  • Number of elements: 3
  • Element list: ['Tl', 'Pd', 'Se']
  • Chemical System: Pd-Se-Tl
  • Density: 11.171205889390263
  • Atomic Density: 0.05775043101545929
  • Unit Cell Volume: 121.21121655570259
  • Molar Volume: 10.427871539846905
  • Full Formula: Tl1 Pd5 Se1
  • Reduced Formula: TlPd5Se
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm