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-75169
  • 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: ['Ce', 'K', 'P', 'S']
  • Chemical System: Ce-K-P-S
  • Density: 2.5286230657337962
  • Atomic Density: 0.0370196429698704
  • Unit Cell Volume: 1512.7104290437746
  • Molar Volume: 16.267419880038577
  • Full Formula: K12 Ce4 P8 S32
  • Reduced Formula: K3Ce(PS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m