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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65626
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Br']
  • Chemical System: Ba-Br-Sb
  • Density: 4.978680504254413
  • Atomic Density: 0.028629909458025616
  • Unit Cell Volume: 139.71402899001166
  • Molar Volume: 21.034438718114274
  • Full Formula: Ba1 Sb1 Br2
  • Reduced Formula: BaSbBr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2