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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81295
  • 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', 'Sc', 'Hg']
  • Chemical System: Ca-Hg-Sc
  • Density: 9.179460464935607
  • Atomic Density: 0.04547792786299447
  • Unit Cell Volume: 87.95475493189329
  • Molar Volume: 13.24189786777914
  • Full Formula: Ca1 Sc1 Hg2
  • Reduced Formula: CaScHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m