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-1215658
  • 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: 1
  • Element list: ['Zr']
  • Chemical System: Zr
  • Density: 6.431133889339072
  • Atomic Density: 0.04245504860715397
  • Unit Cell Volume: 47.10864939777707
  • Molar Volume: 14.184745884345137
  • Full Formula: Zr2
  • Reduced Formula: Zr
  • Formula Anonymous: A
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm