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-50394
  • 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: 22
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Ta', 'O', 'F']
  • Chemical System: F-Li-O-Sr-Ta
  • Density: 6.821047282653129
  • Atomic Density: 0.0738569755051677
  • Unit Cell Volume: 297.87301537226745
  • Molar Volume: 8.153787396261084
  • Full Formula: Sr3 Li1 Ta4 O12 F2
  • Reduced Formula: Sr3LiTa4(O6F)2
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m