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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-80850
  • 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', 'Zr', 'Hg']
  • Chemical System: Hg-Li-Zr
  • Density: 10.431229561585887
  • Atomic Density: 0.05032058616103253
  • Unit Cell Volume: 79.49033000528792
  • Molar Volume: 11.967548908767384
  • Full Formula: Li1 Zr1 Hg2
  • Reduced Formula: LiZrHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm