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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25611
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Sb', 'O']
  • Chemical System: Ba-K-O-Sb
  • Density: 4.905881873887549
  • Atomic Density: 0.02742076126937194
  • Unit Cell Volume: 656.4369173843977
  • Molar Volume: 21.961975091940744
  • Full Formula: K2 Ba8 Sb6 O2
  • Reduced Formula: KBa4Sb3O
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm