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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16120
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Au', 'N']
  • Chemical System: Au-Ca-N
  • Density: 4.970719345010071
  • Atomic Density: 0.04518978655696462
  • Unit Cell Volume: 110.64447037600365
  • Molar Volume: 13.326331498398881
  • Full Formula: Ca3 Au1 N1
  • Reduced Formula: Ca3AuN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m