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-756763
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Fe', 'Zr']
  • Chemical System: Fe-Zr
  • Density: 7.249452565292136
  • Atomic Density: 0.057397215145912873
  • Unit Cell Volume: 243.91427292090336
  • Molar Volume: 10.492043463590976
  • Full Formula: Zr8 Fe6
  • Reduced Formula: Zr4Fe3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m