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-105989
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ta', 'Zn', 'S']
  • Chemical System: S-Ta-Zn
  • Density: 7.438138614271586
  • Atomic Density: 0.05643889727654821
  • Unit Cell Volume: 124.02793707503348
  • Molar Volume: 10.67019564626106
  • Full Formula: Ta2 Zn1 S4
  • Reduced Formula: Ta2ZnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1