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-756975
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['In', 'Zr']
  • Chemical System: In-Zr
  • Density: 7.313812620835693
  • Atomic Density: 0.04346425090168548
  • Unit Cell Volume: 322.1037912667005
  • Molar Volume: 13.855388359555208
  • Full Formula: Zr8 In6
  • Reduced Formula: Zr4In3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m