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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35504
  • 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', 'P', 'Pd']
  • Chemical System: P-Pd-Tl
  • Density: 11.176703846884024
  • Atomic Density: 0.061391550105275375
  • Unit Cell Volume: 114.02220644365991
  • Molar Volume: 9.809396813849986
  • Full Formula: Tl1 P1 Pd5
  • Reduced Formula: TlPPd5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm