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-98769
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Te', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-S-Te
  • Density: 2.7811103935143096
  • Atomic Density: 0.04798934831659021
  • Unit Cell Volume: 541.7868946349422
  • Molar Volume: 12.548911313134273
  • Full Formula: Te2 S8 N8 Cl8
  • Reduced Formula: TeS4(NCl)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m