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-107594
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ac', 'Fe', 'O']
  • Chemical System: Ac-Fe-O
  • Density: 9.072585599108207
  • Atomic Density: 0.08257142288833459
  • Unit Cell Volume: 60.5536373856818
  • Molar Volume: 7.293250557331485
  • Full Formula: Ac1 Fe1 O3
  • Reduced Formula: AcFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m