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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-82076
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'I']
  • Chemical System: Ba-I-Sb
  • Density: 0.5203237261283298
  • Atomic Density: 0.002395071376399423
  • Unit Cell Volume: 1670.0963651502157
  • Molar Volume: 251.43888484247395
  • Full Formula: Ba2 Sb1 I1
  • Reduced Formula: Ba2SbI
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm