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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40277
  • 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', 'Ca', 'Tl']
  • Chemical System: Ca-Li-Tl
  • Density: 4.348942541827653
  • Atomic Density: 0.035940602713924755
  • Unit Cell Volume: 111.29473904037363
  • Molar Volume: 16.755814608714932
  • Full Formula: Li1 Ca2 Tl1
  • Reduced Formula: LiCa2Tl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m