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-12631
  • 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: 14
  • Number of elements: 3
  • Element list: ['Cd', 'Fe', 'O']
  • Chemical System: Cd-Fe-O
  • Density: 6.321822978955409
  • Atomic Density: 0.09250178757050517
  • Unit Cell Volume: 151.3484265299106
  • Molar Volume: 6.510296631197428
  • Full Formula: Cd2 Fe4 O8
  • Reduced Formula: Cd(FeO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m