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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114728
  • 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: 2
  • Element list: ['Ca', 'O']
  • Chemical System: Ca-O
  • Density: 2.8249139457697043
  • Atomic Density: 0.060673388645661734
  • Unit Cell Volume: 65.92676112686526
  • Molar Volume: 9.92550588392197
  • Full Formula: Ca2 O2
  • Reduced Formula: CaO
  • Formula Anonymous: AB
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm