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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1100865
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['As', 'O', 'Zn', 'Zr']
  • Chemical System: As-O-Zn-Zr
  • Density: 5.876379463177604
  • Atomic Density: 0.057180872534733015
  • Unit Cell Volume: 139.9069242103749
  • Molar Volume: 10.531739886169118
  • Full Formula: Zr2 Zn2 As2 O2
  • Reduced Formula: ZrZnAsO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2