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-758193
  • Created at: Sept. 4, 2022, 3:26 p.m.
  • Last updated at: Sept. 4, 2022, 3:26 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Tl', 'Zr']
  • Chemical System: Tl-Zr
  • Density: 10.28034128723578
  • Atomic Density: 0.04188642317964957
  • Unit Cell Volume: 381.9853495576955
  • Molar Volume: 14.377309645589037
  • Full Formula: Zr8 Tl8
  • Reduced Formula: ZrTl
  • Formula Anonymous: AB
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm