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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27666
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Fe', 'O']
  • Chemical System: Ca-Fe-O
  • Density: 4.047441932949941
  • Atomic Density: 0.08434311550583048
  • Unit Cell Volume: 308.2646383652104
  • Molar Volume: 7.1400501675607435
  • Full Formula: Ca4 Fe6 O16
  • Reduced Formula: Ca2Fe3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm