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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52462
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 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: 3.8946315990619818
  • Atomic Density: 0.01878490907873531
  • Unit Cell Volume: 958.2159766946206
  • Molar Volume: 32.05839716742159
  • Full Formula: Ba4 Sr2 I12
  • Reduced Formula: Ba2SrI6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm