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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42671
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'I']
  • Chemical System: Ca-I-Sr
  • Density: 4.210698356586848
  • Atomic Density: 0.023947852406928333
  • Unit Cell Volume: 501.0887738947435
  • Molar Volume: 25.14689274708299
  • Full Formula: Sr2 Ca2 I8
  • Reduced Formula: SrCaI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m