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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120093
  • 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: 4
  • Number of elements: 3
  • Element list: ['Tl', 'Mo', 'Cl']
  • Chemical System: Cl-Mo-Tl
  • Density: 7.269032071476064
  • Atomic Density: 0.04716775786664575
  • Unit Cell Volume: 84.80369177837396
  • Molar Volume: 12.767494221425569
  • Full Formula: Tl1 Mo1 Cl2
  • Reduced Formula: TlMoCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm