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-12627
  • 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: 12
  • Number of elements: 4
  • Element list: ['Sr', 'Fe', 'Cl', 'O']
  • Chemical System: Cl-Fe-O-Sr
  • Density: 4.758015452635203
  • Atomic Density: 0.06543711152988295
  • Unit Cell Volume: 183.38217747462767
  • Molar Volume: 9.20294404689591
  • Full Formula: Sr3 Fe2 Cl2 O5
  • Reduced Formula: Sr3Fe2Cl2O5
  • Formula Anonymous: A2B2C3D5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm