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-93216
  • 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: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Se', 'N']
  • Chemical System: N-Se-Zr
  • Density: 6.203216648602836
  • Atomic Density: 0.06453676859342707
  • Unit Cell Volume: 77.4752146563043
  • Molar Volume: 9.331332961429592
  • Full Formula: Zr2 Se1 N2
  • Reduced Formula: Zr2SeN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1