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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54988
  • 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: 16
  • Number of elements: 2
  • Element list: ['Ca', 'Hg']
  • Chemical System: Ca-Hg
  • Density: 4.270328395020197
  • Atomic Density: 0.03206308592265365
  • Unit Cell Volume: 499.0162219131709
  • Molar Volume: 18.782162061778198
  • Full Formula: Ca12 Hg4
  • Reduced Formula: Ca3Hg
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m