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-758357
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 5.495874749872245
  • Atomic Density: 0.03674785867472608
  • Unit Cell Volume: 108.8498798094884
  • Molar Volume: 16.38773244804553
  • Full Formula: Y2 Zr2
  • Reduced Formula: YZr
  • Formula Anonymous: AB
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm