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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98488
  • 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: 80
  • Number of elements: 3
  • Element list: ['Li', 'Tl', 'O']
  • Chemical System: Li-O-Tl
  • Density: 4.800285630583386
  • Atomic Density: 0.09537888686200348
  • Unit Cell Volume: 838.7600509088135
  • Molar Volume: 6.31391386304705
  • Full Formula: Li40 Tl8 O32
  • Reduced Formula: Li5TlO4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm