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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34424
  • 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: 12
  • Number of elements: 4
  • Element list: ['Na', 'I', 'O', 'F']
  • Chemical System: F-I-Na-O
  • Density: 3.87330318968725
  • Atomic Density: 0.06364707824605834
  • Unit Cell Volume: 188.5396836852155
  • Molar Volume: 9.461770949985361
  • Full Formula: Na2 I2 O4 F4
  • Reduced Formula: NaI(OF)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm