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-757501
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Pb', 'Zr']
  • Chemical System: Pb-Zr
  • Density: 8.73205608201306
  • Atomic Density: 0.04048705821788067
  • Unit Cell Volume: 296.3910080950344
  • Molar Volume: 14.874236422888307
  • Full Formula: Zr8 Pb4
  • Reduced Formula: Zr2Pb
  • Formula Anonymous: AB2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm