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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41178
  • 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: ['Li', 'Ti', 'Ir']
  • Chemical System: Ir-Li-Ti
  • Density: 13.315434085678778
  • Atomic Density: 0.07302345255888149
  • Unit Cell Volume: 54.776922479454846
  • Molar Volume: 8.246858439272131
  • Full Formula: Li1 Ti1 Ir2
  • Reduced Formula: LiTiIr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m