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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115529
  • 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', 'Ca', 'Bi']
  • Chemical System: Ba-Bi-Ca
  • Density: 4.862928022064405
  • Atomic Density: 0.022737844440867003
  • Unit Cell Volume: 131.93862803494528
  • Molar Volume: 26.48509965692409
  • Full Formula: Ba1 Ca1 Bi1
  • Reduced Formula: BaCaBi
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm