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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23697
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Sn', 'Ir']
  • Chemical System: Ir-Li-Sn
  • Density: 8.664305423928049
  • Atomic Density: 0.04644909943521287
  • Unit Cell Volume: 258.34731234644454
  • Molar Volume: 12.965032332649791
  • Full Formula: Li2 Sn8 Ir2
  • Reduced Formula: LiSn4Ir
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm