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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102242
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Sb', 'S']
  • Chemical System: S-Sb-Tl
  • Density: 6.332921379781412
  • Atomic Density: 0.03908824301763577
  • Unit Cell Volume: 204.66512133560397
  • Molar Volume: 15.406527116818578
  • Full Formula: Tl2 Sb2 S4
  • Reduced Formula: TlSbS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm