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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37018
  • 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: 4
  • Number of elements: 3
  • Element list: ['Tl', 'Fe', 'Se']
  • Chemical System: Fe-Se-Tl
  • Density: 6.998753822347159
  • Atomic Density: 0.04031821310987312
  • Unit Cell Volume: 99.21074599956614
  • Molar Volume: 14.936526932849857
  • Full Formula: Tl1 Fe1 Se2
  • Reduced Formula: TlFeSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2