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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116292
  • 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: 3
  • Number of elements: 3
  • Element list: ['Li', 'Y', 'Se']
  • Chemical System: Li-Se-Y
  • Density: 3.2535937947267675
  • Atomic Density: 0.033626141906587075
  • Unit Cell Volume: 89.21630106522346
  • Molar Volume: 17.90910410337712
  • Full Formula: Li1 Y1 Se1
  • Reduced Formula: LiYSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm