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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114552
  • 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: 2
  • Number of elements: 2
  • Element list: ['Ba', 'Cl']
  • Chemical System: Ba-Cl
  • Density: 2.7339870573290743
  • Atomic Density: 0.01905828788163403
  • Unit Cell Volume: 104.94122097543439
  • Molar Volume: 31.598540212016516
  • Full Formula: Ba1 Cl1
  • Reduced Formula: BaCl
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2