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-12639
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Dy', 'Fe', 'O']
  • Chemical System: Ba-Dy-Fe-O
  • Density: 7.371432060743234
  • Atomic Density: 0.08128480844721034
  • Unit Cell Volume: 221.44359252184168
  • Molar Volume: 7.408691580925634
  • Full Formula: Ba2 Dy2 Fe4 O10
  • Reduced Formula: BaDyFe2O5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm