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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117574
  • 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', 'Te', 'Cl']
  • Chemical System: Ba-Cl-Te
  • Density: 4.428427363257131
  • Atomic Density: 0.0266348754273116
  • Unit Cell Volume: 112.63427937506992
  • Molar Volume: 22.60998282659453
  • Full Formula: Ba1 Te1 Cl1
  • Reduced Formula: BaTeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2