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-101040
  • 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: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Pb']
  • Chemical System: Pb-Zr
  • Density: 8.648801485508118
  • Atomic Density: 0.043324876448640144
  • Unit Cell Volume: 92.32571048971911
  • Molar Volume: 13.899960608402427
  • Full Formula: Zr3 Pb1
  • Reduced Formula: Zr3Pb
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm