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-1123494
  • Created at: Sept. 4, 2022, 3:44 p.m.
  • Last updated at: Sept. 4, 2022, 3:44 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['In', 'Zn', 'Zr']
  • Chemical System: In-Zn-Zr
  • Density: 7.352475565821694
  • Atomic Density: 0.04585161408980819
  • Unit Cell Volume: 87.23793217323428
  • Molar Volume: 13.133977678963738
  • Full Formula: Zr1 Zn1 In2
  • Reduced Formula: ZrZnIn2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m