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-1236197
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.504368195280418
  • Atomic Density: 0.03680464962170469
  • Unit Cell Volume: 54.34096019271832
  • Molar Volume: 16.362445565705322
  • Full Formula: Y1 Zr1
  • Reduced Formula: YZr
  • Formula Anonymous: AB
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2