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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95645
  • 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: 18
  • Number of elements: 3
  • Element list: ['Tl', 'Fe', 'Cl']
  • Chemical System: Cl-Fe-Tl
  • Density: 5.555782180368011
  • Atomic Density: 0.03558236908102856
  • Unit Cell Volume: 505.86850917683984
  • Molar Volume: 16.924507601746004
  • Full Formula: Tl6 Fe2 Cl10
  • Reduced Formula: Tl3FeCl5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm