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-1381925
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 144
  • Number of elements: 3
  • Element list: ['B', 'N', 'O']
  • Chemical System: B-N-O
  • Density: 2.335771921489785
  • Atomic Density: 0.09502651434602948
  • Unit Cell Volume: 1515.3665373396577
  • Molar Volume: 6.3373267992036215
  • Full Formula: B24 N24 O96
  • Reduced Formula: BNO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 27
  • Spacegroup Symbol: Pcc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2