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-27204
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Zr', 'Fe', 'P']
  • Chemical System: Fe-P-Zr
  • Density: 7.266282008331945
  • Atomic Density: 0.0859291481508249
  • Unit Cell Volume: 244.38738718950518
  • Molar Volume: 7.0082630743991485
  • Full Formula: Zr2 Fe12 P7
  • Reduced Formula: Zr2Fe12P7
  • Formula Anonymous: A2B7C12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6