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-13421
  • 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: ['Pt', 'S', 'Cl']
  • Chemical System: Cl-Pt-S
  • Density: 3.333208983040695
  • Atomic Density: 0.0406757799819371
  • Unit Cell Volume: 540.8624004203372
  • Molar Volume: 14.805225032376152
  • Full Formula: Pt2 S4 Cl16
  • Reduced Formula: Pt(SCl4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m