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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91381
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Ca', 'Fe', 'O']
  • Chemical System: Ca-Fe-O
  • Density: 4.704994005004928
  • Atomic Density: 0.09092072979751831
  • Unit Cell Volume: 329.9577562433826
  • Molar Volume: 6.623506843171396
  • Full Formula: Ca4 Fe9 O17
  • Reduced Formula: Ca4Fe9O17
  • Formula Anonymous: A4B9C17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2