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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22903
  • 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: 40
  • Number of elements: 4
  • Element list: ['K', 'Hf', 'Pd', 'F']
  • Chemical System: F-Hf-K-Pd
  • Density: 5.105924148042577
  • Atomic Density: 0.06728399902944669
  • Unit Cell Volume: 594.494985092876
  • Molar Volume: 8.950331203358502
  • Full Formula: K4 Hf4 Pd4 F28
  • Reduced Formula: KHfPdF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm