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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-650676
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'P', 'S', 'Zr']
  • Chemical System: Cs-P-S-Zr
  • Density: 2.6448948846213134
  • Atomic Density: 0.03396138784458461
  • Unit Cell Volume: 1648.9314352013328
  • Molar Volume: 17.73231643994865
  • Full Formula: Cs6 Zr4 P10 S36
  • Reduced Formula: Cs3Zr2P5S18
  • Formula Anonymous: A2B3C5D18
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m