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-106929
  • 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: 7
  • Number of elements: 3
  • Element list: ['Cu', 'N', 'F']
  • Chemical System: Cu-F-N
  • Density: 5.878479606885302
  • Atomic Density: 0.09471308180646386
  • Unit Cell Volume: 73.9074251042085
  • Molar Volume: 6.358298816952876
  • Full Formula: Cu3 N1 F3
  • Reduced Formula: Cu3NF3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m