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-97451
  • 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: 34
  • Number of elements: 4
  • Element list: ['Na', 'Sc', 'B', 'O']
  • Chemical System: B-Na-O-Sc
  • Density: 2.5891384638524872
  • Atomic Density: 0.07905152226030646
  • Unit Cell Volume: 430.0992444907309
  • Molar Volume: 7.617994679684811
  • Full Formula: Na6 Sc4 B6 O18
  • Reduced Formula: Na3Sc2(BO3)3
  • Formula Anonymous: A2B3C3D9
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m