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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113484
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ba', 'I']
  • Chemical System: Ba-I
  • Density: 5.164684426374827
  • Atomic Density: 0.023541826117348865
  • Unit Cell Volume: 169.91035360049017
  • Molar Volume: 25.580601649088116
  • Full Formula: Ba2 I2
  • Reduced Formula: BaI
  • Formula Anonymous: AB
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm