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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40763
  • 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: ['K', 'Ba', 'P']
  • Chemical System: Ba-K-P
  • Density: 3.5392793641661973
  • Atomic Density: 0.030830474817679483
  • Unit Cell Volume: 97.30631843138772
  • Molar Volume: 19.533078214373308
  • Full Formula: K1 Ba1 P1
  • Reduced Formula: KBaP
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m