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-111624
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Au', 'C', 'H', 'N', 'O']
  • Chemical System: Au-C-H-N-O
  • Density: 3.859604789122921
  • Atomic Density: 0.1036664198435807
  • Unit Cell Volume: 694.5354156981474
  • Molar Volume: 5.809152827971329
  • Full Formula: H36 Au6 C18 N6 O6
  • Reduced Formula: H6AuC3NO
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1