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-27283
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ta', 'Hg', 'S', 'O', 'F']
  • Chemical System: F-Hg-O-S-Ta
  • Density: 6.326826784330803
  • Atomic Density: 0.060975696034460326
  • Unit Cell Volume: 655.9990717841754
  • Molar Volume: 9.876296871784122
  • Full Formula: Ta4 Hg6 S2 O8 F20
  • Reduced Formula: Ta2Hg3S(O2F5)2
  • Formula Anonymous: AB2C3D4E10
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2