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-1234862
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Be', 'N']
  • Chemical System: Be-N
  • Density: 3.03409931872765
  • Atomic Density: 0.15875465353627816
  • Unit Cell Volume: 12.598055902298107
  • Molar Volume: 3.7933632972994005
  • Full Formula: Be1 N1
  • Reduced Formula: BeN
  • Formula Anonymous: AB
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m