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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90519
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'I']
  • Chemical System: Ba-I-Sr
  • Density: 5.165781686379518
  • Atomic Density: 0.024916025259643787
  • Unit Cell Volume: 361.21331176273935
  • Molar Volume: 24.169748975788668
  • Full Formula: Ba2 Sr1 I6
  • Reduced Formula: Ba2SrI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m