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-90189
  • 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: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Cu', 'Bi']
  • Chemical System: Bi-Cu-Zr
  • Density: 8.382377121517544
  • Atomic Density: 0.04415787930763559
  • Unit Cell Volume: 203.81413557701714
  • Molar Volume: 13.637749036916901
  • Full Formula: Zr6 Cu1 Bi2
  • Reduced Formula: Zr6CuBi2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m