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-15923
  • 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: 3
  • Number of elements: 2
  • Element list: ['Ta', 'N']
  • Chemical System: N-Ta
  • Density: 15.318492210185276
  • Atomic Density: 0.07362291511945325
  • Unit Cell Volume: 40.74818275169486
  • Molar Volume: 8.179709741497021
  • Full Formula: Ta2 N1
  • Reduced Formula: Ta2N
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1