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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117981
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'N', 'O']
  • Chemical System: Ca-N-O
  • Density: 1.9496025139402857
  • Atomic Density: 0.050257251369664274
  • Unit Cell Volume: 59.69287850490819
  • Molar Volume: 11.98263055753785
  • Full Formula: Ca1 N1 O1
  • Reduced Formula: CaNO
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2