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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4519
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Tl', 'Pd', 'Se']
  • Chemical System: Pd-Se-Tl
  • Density: 7.737661750848597
  • Atomic Density: 0.04274305440713844
  • Unit Cell Volume: 280.74736741312296
  • Molar Volume: 14.089168038010529
  • Full Formula: Tl2 Pd4 Se6
  • Reduced Formula: TlPd2Se3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1