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-22812
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['I', 'K', 'Li', 'O']
  • Chemical System: I-K-Li-O
  • Density: 3.825840119087759
  • Atomic Density: 0.07158256570651762
  • Unit Cell Volume: 1341.1086771266591
  • Molar Volume: 8.41285961261889
  • Full Formula: K32 Li8 I8 O48
  • Reduced Formula: K4LiIO6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm