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-758210
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Tl', 'Zr']
  • Chemical System: Tl-Zr
  • Density: 8.658899253504982
  • Atomic Density: 0.043631027748702846
  • Unit Cell Volume: 183.35575421410604
  • Molar Volume: 13.802427012916372
  • Full Formula: Zr6 Tl2
  • Reduced Formula: Zr3Tl
  • Formula Anonymous: AB3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm