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-645165
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 7
  • Element list: ['C', 'H', 'Mn', 'N', 'Na', 'O', 'S']
  • Chemical System: C-H-Mn-N-Na-O-S
  • Density: 1.9103015333375266
  • Atomic Density: 0.07513599789816373
  • Unit Cell Volume: 532.367987635093
  • Molar Volume: 8.014987394141174
  • Full Formula: Na2 Mn2 H12 C6 S6 N6 O6
  • Reduced Formula: NaMnH6C3S3(NO)3
  • Formula Anonymous: ABC3D3E3F3G6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3