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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-93927
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Zr', 'Si']
  • Chemical System: Si-Zr
  • Density: 5.956102679313153
  • Atomic Density: 0.05111085227989702
  • Unit Cell Volume: 117.39189883084629
  • Molar Volume: 11.782508980717266
  • Full Formula: Zr4 Si2
  • Reduced Formula: Zr2Si
  • Formula Anonymous: AB2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm