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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74219
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Be']
  • Chemical System: Be-Ca-Li
  • Density: 1.633189832786973
  • Atomic Density: 0.040933858179098365
  • Unit Cell Volume: 97.71861676216191
  • Molar Volume: 14.711881625355861
  • Full Formula: Li1 Ca2 Be1
  • Reduced Formula: LiCa2Be
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2