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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103589
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Hg', 'Bi']
  • Chemical System: Bi-Ca-Hg
  • Density: 7.009769079952718
  • Atomic Density: 0.03447951028097252
  • Unit Cell Volume: 116.01092844428813
  • Molar Volume: 17.465853519744773
  • Full Formula: Ca2 Hg1 Bi1
  • Reduced Formula: Ca2HgBi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m