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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108959
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Fe', 'O']
  • Chemical System: Ca-Fe-O
  • Density: 4.564218148102732
  • Atomic Density: 0.08594739647728496
  • Unit Cell Volume: 46.540095034259245
  • Molar Volume: 7.006775082002155
  • Full Formula: Ca1 Fe1 O2
  • Reduced Formula: CaFeO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm