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-1381946
  • Created at: Sept. 4, 2022, 3:48 p.m.
  • Last updated at: Sept. 4, 2022, 3:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['B', 'C', 'O']
  • Chemical System: B-C-O
  • Density: 2.2913407155130674
  • Atomic Density: 0.09536204269816069
  • Unit Cell Volume: 1132.5260758291524
  • Molar Volume: 6.315029113901471
  • Full Formula: B18 C18 O72
  • Reduced Formula: BCO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2