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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-66618
  • 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', 'Se']
  • Chemical System: Ba-K-Se
  • Density: 3.4846621221991265
  • Atomic Density: 0.02465113592071525
  • Unit Cell Volume: 121.69824585969647
  • Molar Volume: 24.42946556040598
  • Full Formula: K1 Ba1 Se1
  • Reduced Formula: KBaSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m