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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25791
  • 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: 27
  • Number of elements: 4
  • Element list: ['Tl', 'Ga', 'S', 'O']
  • Chemical System: Ga-O-S-Tl
  • Density: 4.658824950916364
  • Atomic Density: 0.04483660115017879
  • Unit Cell Volume: 602.1865910300459
  • Molar Volume: 13.431305240620333
  • Full Formula: Tl3 Ga9 S13 O2
  • Reduced Formula: Tl3Ga9S13O2
  • Formula Anonymous: A2B3C9D13
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6