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-107379
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['K', 'Tl', 'Zn']
  • Chemical System: K-Tl-Zn
  • Density: 5.242448428114381
  • Atomic Density: 0.024766203611363877
  • Unit Cell Volume: 1534.349010300628
  • Molar Volume: 24.31596240788703
  • Full Formula: K16 Tl20 Zn2
  • Reduced Formula: K8Tl10Zn
  • Formula Anonymous: AB8C10
  • Spacegroup Number: 126
  • Spacegroup Symbol: P4/nnc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm