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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13396
  • 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: 22
  • Number of elements: 3
  • Element list: ['Tl', 'S', 'Br']
  • Chemical System: Br-S-Tl
  • Density: 7.276237209206721
  • Atomic Density: 0.030545604332669136
  • Unit Cell Volume: 720.2345633892259
  • Molar Volume: 19.715245095213916
  • Full Formula: Tl12 S2 Br8
  • Reduced Formula: Tl6SBr4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm