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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96152
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Na', 'Cr', 'F']
  • Chemical System: Cr-F-Na
  • Density: 2.9685771393321336
  • Atomic Density: 0.0756801376085708
  • Unit Cell Volume: 422.8322121387896
  • Molar Volume: 7.9573596855061615
  • Full Formula: Na4 Cr4 F24
  • Reduced Formula: NaCrF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm