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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120868
  • 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', 'Tl', 'O']
  • Chemical System: Ba-O-Tl
  • Density: 5.637107998443931
  • Atomic Density: 0.028470677080618227
  • Unit Cell Volume: 105.37157200389477
  • Molar Volume: 21.152081290330983
  • Full Formula: Ba1 Tl1 O1
  • Reduced Formula: BaTlO
  • Formula Anonymous: ABC
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2