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-46422
  • 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: 10
  • Number of elements: 3
  • Element list: ['Sc', 'Fe', 'O']
  • Chemical System: Fe-O-Sc
  • Density: 4.550002833745089
  • Atomic Density: 0.09207298741366454
  • Unit Cell Volume: 108.60948776509342
  • Molar Volume: 6.5406162319289045
  • Full Formula: Sc2 Fe2 O6
  • Reduced Formula: ScFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm