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-92584
  • 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: ['Cu', 'Br', 'N']
  • Chemical System: Br-Cu-N
  • Density: 4.147988324275872
  • Atomic Density: 0.049687766926535225
  • Unit Cell Volume: 100.62839023119398
  • Molar Volume: 12.119966608489182
  • Full Formula: Cu1 Br2 N2
  • Reduced Formula: Cu(BrN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m