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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119596
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'I']
  • Chemical System: Ba-I-Sr
  • Density: 4.476750158396282
  • Atomic Density: 0.022591990007426888
  • Unit Cell Volume: 796.7425620356012
  • Molar Volume: 26.656088100341236
  • Full Formula: Ba2 Sr4 I12
  • Reduced Formula: BaSr2I6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m