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-18863
  • 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: 3
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'Bi']
  • Chemical System: Bi-Ni-Zr
  • Density: 9.58885715891907
  • Atomic Density: 0.048268989856025804
  • Unit Cell Volume: 62.15170462336671
  • Molar Volume: 12.476210457195236
  • Full Formula: Zr1 Ni1 Bi1
  • Reduced Formula: ZrNiBi
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m