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-21691
  • 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: 212
  • Number of elements: 3
  • Element list: ['C', 'H', 'Si']
  • Chemical System: C-H-Si
  • Density: 1.149903751829151
  • Atomic Density: 0.12042604082552341
  • Unit Cell Volume: 1760.416588860141
  • Molar Volume: 5.000696459601329
  • Full Formula: Si16 H144 C52
  • Reduced Formula: Si4H36C13
  • Formula Anonymous: A4B13C36
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23