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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38593
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'H', 'N', 'F']
  • Chemical System: Cr-F-H-N-Na
  • Density: 2.4177972450162994
  • Atomic Density: 0.1164549832264101
  • Unit Cell Volume: 154.5661636909488
  • Molar Volume: 5.171217747111638
  • Full Formula: Na1 Cr1 H8 N2 F6
  • Reduced Formula: NaCrH8(NF3)2
  • Formula Anonymous: ABC2D6E8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m