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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22642
  • 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: 7
  • Number of elements: 3
  • Element list: ['Cu', 'Hg', 'I']
  • Chemical System: Cu-Hg-I
  • Density: 5.903595219463405
  • Atomic Density: 0.0297936077636818
  • Unit Cell Volume: 234.9497266501894
  • Molar Volume: 20.212861791585198
  • Full Formula: Cu2 Hg1 I4
  • Reduced Formula: Cu2HgI4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m