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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-76876
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Tl', 'Hg']
  • Chemical System: Ca-Hg-Tl
  • Density: 8.682972160095424
  • Atomic Density: 0.03239574703868927
  • Unit Cell Volume: 123.47299771241329
  • Molar Volume: 18.58929430708277
  • Full Formula: Ca1 Tl1 Hg2
  • Reduced Formula: CaTlHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm