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-15962
  • 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', 'C']
  • Chemical System: B-C-Sc
  • Density: 3.4931362883826726
  • Atomic Density: 0.08431716417496835
  • Unit Cell Volume: 59.299907070218744
  • Molar Volume: 7.14224774863553
  • Full Formula: Sc2 B1 C2
  • Reduced Formula: Sc2BC2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm