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-100842
  • 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: 8
  • Number of elements: 4
  • Element list: ['Er', 'S', 'O', 'F']
  • Chemical System: Er-F-O-S
  • Density: 7.19497019273326
  • Atomic Density: 0.054762957803757215
  • Unit Cell Volume: 146.08414740248253
  • Molar Volume: 10.996741230779229
  • Full Formula: Er3 S3 O1 F1
  • Reduced Formula: Er3S3OF
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2