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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-64278
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['K', 'Ba', 'Zr']
  • Chemical System: Ba-K-Zr
  • Density: 2.7836050540637
  • Atomic Density: 0.018789432434471568
  • Unit Cell Volume: 159.66421606733178
  • Molar Volume: 32.05067944975085
  • Full Formula: K1 Ba1 Zr1
  • Reduced Formula: KBaZr
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m