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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115444
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Au', 'N']
  • Chemical System: Au-Ca-N
  • Density: 5.215588440441546
  • Atomic Density: 0.04315472347154781
  • Unit Cell Volume: 92.68973772099886
  • Molar Volume: 13.954766189083422
  • Full Formula: Ca2 Au1 N1
  • Reduced Formula: Ca2AuN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm