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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81146
  • 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: ['Ba', 'Mg', 'Cd']
  • Chemical System: Ba-Cd-Mg
  • Density: 4.083573934131957
  • Atomic Density: 0.023912154064426705
  • Unit Cell Volume: 167.27894899065842
  • Molar Volume: 25.184434425165122
  • Full Formula: Ba2 Mg1 Cd1
  • Reduced Formula: Ba2MgCd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm