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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-78494
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ca', 'O']
  • Chemical System: Ca-O
  • Density: 3.2831391143207873
  • Atomic Density: 0.08229357804980575
  • Unit Cell Volume: 36.45484946813637
  • Molar Volume: 7.3178744960576125
  • Full Formula: Ca1 O2
  • Reduced Formula: CaO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m