Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56655
  • 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: 22
  • Number of elements: 3
  • Element list: ['K', 'Fe', 'O']
  • Chemical System: Fe-K-O
  • Density: 3.125120291596706
  • Atomic Density: 0.059474528352588006
  • Unit Cell Volume: 369.9062541459008
  • Molar Volume: 10.125579683958856
  • Full Formula: K8 Fe4 O10
  • Reduced Formula: K4Fe2O5
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m