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-1561
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Na', 'Sc', 'O']
  • Chemical System: Na-O-Sc
  • Density: 3.5158053771094235
  • Atomic Density: 0.08473774480341033
  • Unit Cell Volume: 47.20446607683401
  • Molar Volume: 7.1067984803834845
  • Full Formula: Na1 Sc1 O2
  • Reduced Formula: NaScO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m