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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37918
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ca', 'Tl']
  • Chemical System: Ca-Tl
  • Density: 4.257940565559536
  • Atomic Density: 0.031596489087149494
  • Unit Cell Volume: 253.1926878943539
  • Molar Volume: 19.05952507378184
  • Full Formula: Ca6 Tl2
  • Reduced Formula: Ca3Tl
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm