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-482227
  • Created at: Sept. 4, 2022, 3:05 p.m.
  • Last updated at: Sept. 4, 2022, 3:05 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Y', 'Zn', 'Zr']
  • Chemical System: Y-Zn-Zr
  • Density: 6.389169341248178
  • Atomic Density: 0.049495730072768994
  • Unit Cell Volume: 80.81505200790392
  • Molar Volume: 12.166990467957952
  • Full Formula: Y1 Zr1 Zn2
  • Reduced Formula: YZrZn2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m