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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50492
  • 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: 18
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'I']
  • Chemical System: Ca-I-Sr
  • Density: 4.2297757616255165
  • Atomic Density: 0.02347089439971944
  • Unit Cell Volume: 766.9072892345833
  • Molar Volume: 25.657909142448297
  • Full Formula: Sr4 Ca2 I12
  • Reduced Formula: Sr2CaI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m