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-4130
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Al', 'Na', 'O']
  • Chemical System: Al-Na-O
  • Density: 3.612444386149471
  • Atomic Density: 0.10615893598885844
  • Unit Cell Volume: 37.67935278119034
  • Molar Volume: 5.672759154850642
  • Full Formula: Na1 Al1 O2
  • Reduced Formula: NaAlO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m