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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104953
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Fe', 'As']
  • Chemical System: As-Ba-Fe-K
  • Density: 5.9137240279225844
  • Atomic Density: 0.05091308234858421
  • Unit Cell Volume: 196.41317199248456
  • Molar Volume: 11.828277688568317
  • Full Formula: K1 Ba1 Fe4 As4
  • Reduced Formula: KBa(FeAs)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm