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-327420
  • Created at: Sept. 4, 2022, 3:04 p.m.
  • Last updated at: Sept. 4, 2022, 3:04 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 6.599152764517418
  • Atomic Density: 0.05074413036639874
  • Unit Cell Volume: 39.41342546534881
  • Molar Volume: 11.86765979930495
  • Full Formula: Zr1 Zn1
  • Reduced Formula: ZrZn
  • Formula Anonymous: AB
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m