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-116717
  • 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: 25
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Fe', 'O']
  • Chemical System: Ba-Fe-O-Sr
  • Density: 6.347947675622621
  • Atomic Density: 0.08266322026695011
  • Unit Cell Volume: 302.4319633237824
  • Molar Volume: 7.2851514138359
  • Full Formula: Ba4 Sr1 Fe5 O15
  • Reduced Formula: Ba4Sr(FeO3)5
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm