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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115148
  • 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: 5
  • Number of elements: 3
  • Element list: ['Tl', 'In', 'S']
  • Chemical System: In-S-Tl
  • Density: 5.810646074517632
  • Atomic Density: 0.03512253111605226
  • Unit Cell Volume: 142.35876063370674
  • Molar Volume: 17.146089899106578
  • Full Formula: Tl1 In2 S2
  • Reduced Formula: Tl(InS)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm