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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37573
  • 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: 20
  • Number of elements: 3
  • Element list: ['Tl', 'Bi', 'Cl']
  • Chemical System: Bi-Cl-Tl
  • Density: 5.740232994411016
  • Atomic Density: 0.033404404393847446
  • Unit Cell Volume: 598.7234426991812
  • Molar Volume: 18.027984241231316
  • Full Formula: Tl6 Bi2 Cl12
  • Reduced Formula: Tl3BiCl6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m