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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38035
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'N', 'F']
  • Chemical System: Al-Ca-F-N
  • Density: 2.3178405334626593
  • Atomic Density: 0.042629259660669244
  • Unit Cell Volume: 234.58066313138988
  • Molar Volume: 14.126777729513725
  • Full Formula: Ca6 Al2 N1 F1
  • Reduced Formula: Ca6Al2NF
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m