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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50789
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Ca', 'I']
  • Chemical System: Ba-Ca-I
  • Density: 4.672386669169807
  • Atomic Density: 0.024645398895241522
  • Unit Cell Volume: 486.9063004825997
  • Molar Volume: 24.435152320308926
  • Full Formula: Ba2 Ca2 I8
  • Reduced Formula: BaCaI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m