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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117571
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'Cl']
  • Chemical System: Ba-Cl-Sr
  • Density: 3.611087615019725
  • Atomic Density: 0.02505354599292234
  • Unit Cell Volume: 119.74352855470055
  • Molar Volume: 24.037079468516204
  • Full Formula: Ba1 Sr1 Cl1
  • Reduced Formula: BaSrCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2