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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69057
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Ba', 'Be']
  • Chemical System: Ba-Be-K
  • Density: 1.9661837449969266
  • Atomic Density: 0.02109353826997126
  • Unit Cell Volume: 189.63153306974564
  • Molar Volume: 28.54969461701508
  • Full Formula: K2 Ba1 Be1
  • Reduced Formula: K2BaBe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm