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-115508
  • 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: 5
  • Number of elements: 3
  • Element list: ['Sc', 'B', 'O']
  • Chemical System: B-O-Sc
  • Density: 4.522765854004714
  • Atomic Density: 0.13124224549938535
  • Unit Cell Volume: 38.097488967631364
  • Molar Volume: 4.588568823312464
  • Full Formula: Sc1 B1 O3
  • Reduced Formula: ScBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m