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-20906
  • 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: 34
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'S']
  • Chemical System: Fe-S-Ta
  • Density: 10.373485976918436
  • Atomic Density: 0.054951571767488334
  • Unit Cell Volume: 618.7266152069527
  • Molar Volume: 10.958996378631253
  • Full Formula: Ta18 Fe4 S12
  • Reduced Formula: Ta9(FeS3)2
  • Formula Anonymous: A2B6C9
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m