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-25416
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['F', 'N', 'O']
  • Chemical System: F-N-O
  • Density: 2.7071682009736944
  • Atomic Density: 0.09980479491664457
  • Unit Cell Volume: 120.23470425466247
  • Molar Volume: 6.033919277154569
  • Full Formula: N4 O4 F4
  • Reduced Formula: NOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1