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-114012
  • 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: 60
  • Number of elements: 4
  • Element list: ['Bi', 'K', 'P', 'S']
  • Chemical System: Bi-K-P-S
  • Density: 2.4675810709804495
  • Atomic Density: 0.03721853076100429
  • Unit Cell Volume: 1612.1001762612564
  • Molar Volume: 16.18049030111016
  • Full Formula: K18 Bi2 P8 S32
  • Reduced Formula: K9Bi(PS4)4
  • Formula Anonymous: AB4C9D16
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222