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-97751
  • 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: 40
  • Number of elements: 3
  • Element list: ['C', 'Se', 'N']
  • Chemical System: C-N-Se
  • Density: 2.439055298602398
  • Atomic Density: 0.05606457025272548
  • Unit Cell Volume: 713.463062673801
  • Molar Volume: 10.74143747620583
  • Full Formula: C16 Se8 N16
  • Reduced Formula: C2SeN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1