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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-113503
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Si', 'Cl']
  • Chemical System: Cl-Si
  • Density: 2.6315680888561093
  • Atomic Density: 0.048027376459874725
  • Unit Cell Volume: 62.464373886972574
  • Molar Volume: 12.538975067753906
  • Full Formula: Si1 Cl2
  • Reduced Formula: SiCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm