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-113696
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Al', 'O']
  • Chemical System: Al-O-Sc
  • Density: 2.962542095488736
  • Atomic Density: 0.06866072389424424
  • Unit Cell Volume: 58.257469090495796
  • Molar Volume: 8.77086697960787
  • Full Formula: Sc1 Al1 O2
  • Reduced Formula: ScAlO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m