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-15053
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Au', 'K', 'Se']
  • Chemical System: Au-K-Se
  • Density: 5.6103716583600205
  • Atomic Density: 0.0343022796179866
  • Unit Cell Volume: 233.22065148711442
  • Molar Volume: 17.55609489242883
  • Full Formula: K2 Au2 Se4
  • Reduced Formula: KAuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm