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-24843
  • 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: 13
  • Number of elements: 5
  • Element list: ['C', 'Cl', 'H', 'Hg', 'N']
  • Chemical System: C-Cl-H-Hg-N
  • Density: 3.3849207049877426
  • Atomic Density: 0.0745264377268215
  • Unit Cell Volume: 174.4347428445704
  • Molar Volume: 8.080542883418504
  • Full Formula: Hg1 H4 C2 N4 Cl2
  • Reduced Formula: HgH4C2(N2Cl)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1