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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81715
  • 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', 'Tl']
  • Chemical System: Ca-Li-Tl
  • Density: 3.7459698380847994
  • Atomic Density: 0.034928341715007735
  • Unit Cell Volume: 114.5201805638918
  • Molar Volume: 17.241416180409313
  • Full Formula: Li2 Ca1 Tl1
  • Reduced Formula: Li2CaTl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm