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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12300
  • 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: 16
  • Number of elements: 3
  • Element list: ['Li', 'In', 'Se']
  • Chemical System: In-Li-Se
  • Density: 4.394891867074022
  • Atomic Density: 0.037852906307081026
  • Unit Cell Volume: 422.6888120610947
  • Molar Volume: 15.909322024431862
  • Full Formula: Li4 In4 Se8
  • Reduced Formula: LiInSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2