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-25794
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Re', 'S', 'Cl']
  • Chemical System: Cl-Re-S
  • Density: 3.690253411008414
  • Atomic Density: 0.04016656914655599
  • Unit Cell Volume: 746.8897801686479
  • Molar Volume: 14.992917961270182
  • Full Formula: Re4 S2 Cl24
  • Reduced Formula: Re2SCl12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m