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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102745
  • 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: 5
  • Element list: ['K', 'Na', 'Mo', 'O', 'F']
  • Chemical System: F-K-Mo-Na-O
  • Density: 3.382822645191985
  • Atomic Density: 0.06742966057377298
  • Unit Cell Volume: 148.3026892751339
  • Molar Volume: 8.930996699013987
  • Full Formula: K2 Na1 Mo1 O3 F3
  • Reduced Formula: K2NaMo(OF)3
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2