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-39636
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Zn']
  • Chemical System: Zn-Zr
  • Density: 6.825387366754084
  • Atomic Density: 0.048488052681599156
  • Unit Cell Volume: 82.49454821925586
  • Molar Volume: 12.419844532724154
  • Full Formula: Zr3 Zn1
  • Reduced Formula: Zr3Zn
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm