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-59298
  • 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: 42
  • Number of elements: 3
  • Element list: ['Sr', 'Al', 'O']
  • Chemical System: Al-O-Sr
  • Density: 3.48289802358539
  • Atomic Density: 0.07141795479309643
  • Unit Cell Volume: 588.0874091351031
  • Molar Volume: 8.432250373798334
  • Full Formula: Sr6 Al12 O24
  • Reduced Formula: SrAl2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6