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-88802
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Re', 'P', 'Cl']
  • Chemical System: Cl-P-Re
  • Density: 3.238921577863207
  • Atomic Density: 0.04001017299057303
  • Unit Cell Volume: 549.8601569451728
  • Molar Volume: 15.051523924725101
  • Full Formula: Re2 P2 Cl18
  • Reduced Formula: RePCl9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1