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-8754
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Ta', 'I']
  • Chemical System: I-Ta
  • Density: 6.305966946004937
  • Atomic Density: 0.026678353339955635
  • Unit Cell Volume: 262.38500970433734
  • Molar Volume: 22.573135167906937
  • Full Formula: Ta2 I5
  • Reduced Formula: Ta2I5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1