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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-349166
  • Created at: Sept. 4, 2022, 2:51 p.m.
  • Last updated at: Sept. 4, 2022, 2:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Br', 'C']
  • Chemical System: Br-C
  • Density: 4.230900824931674
  • Atomic Density: 0.08790732245829792
  • Unit Cell Volume: 45.50246655388176
  • Molar Volume: 6.850556462866702
  • Full Formula: C3 Br1
  • Reduced Formula: C3Br
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m