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-31963
  • 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: 30
  • Number of elements: 3
  • Element list: ['Re', 'Se', 'Cl']
  • Chemical System: Cl-Re-Se
  • Density: 3.3261372994182516
  • Atomic Density: 0.03904254819508945
  • Unit Cell Volume: 768.3924689058393
  • Molar Volume: 15.424558688916292
  • Full Formula: Re2 Se4 Cl24
  • Reduced Formula: Re(SeCl6)2
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2