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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65580
  • 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', 'Se']
  • Chemical System: Ba-K-Se
  • Density: 2.4911773543807505
  • Atomic Density: 0.020377665433850622
  • Unit Cell Volume: 196.2933395380684
  • Molar Volume: 29.552653023718033
  • Full Formula: K2 Ba1 Se1
  • Reduced Formula: K2BaSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm