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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14583
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Hg']
  • Chemical System: Hg-Zr
  • Density: 11.322693332750605
  • Atomic Density: 0.04673309235040237
  • Unit Cell Volume: 85.59245277432535
  • Molar Volume: 12.886244965015994
  • Full Formula: Zr2 Hg2
  • Reduced Formula: ZrHg
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm