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-124087
  • 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: ['K', 'Nd', 'P', 'S']
  • Chemical System: K-Nd-P-S
  • Density: 2.5661408521481213
  • Atomic Density: 0.03730165685382411
  • Unit Cell Volume: 1501.2737964817497
  • Molar Volume: 16.144432360201233
  • Full Formula: K12 Nd4 P8 S32
  • Reduced Formula: K3Nd(PS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m