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-57242
  • 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: 9
  • Number of elements: 5
  • Element list: ['Sr', 'Fe', 'S', 'O', 'F']
  • Chemical System: F-Fe-O-S-Sr
  • Density: 4.646203176144916
  • Atomic Density: 0.062169348807627055
  • Unit Cell Volume: 144.76587213176444
  • Molar Volume: 9.686671769129408
  • Full Formula: Sr2 Fe2 S2 O1 F2
  • Reduced Formula: Sr2Fe2S2OF2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm