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-32822
  • 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: 30
  • Number of elements: 2
  • Element list: ['Zr', 'I']
  • Chemical System: I-Zr
  • Density: 4.861677031041295
  • Atomic Density: 0.02444527044493558
  • Unit Cell Volume: 1227.2312579881977
  • Molar Volume: 24.63519793558934
  • Full Formula: Zr6 I24
  • Reduced Formula: ZrI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m