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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49963
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'I']
  • Chemical System: Ca-I-Sr
  • Density: 4.093061624362403
  • Atomic Density: 0.023278807307428998
  • Unit Cell Volume: 1030.9806547666576
  • Molar Volume: 25.86962759934074
  • Full Formula: Sr4 Ca4 I16
  • Reduced Formula: SrCaI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm