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-13078
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Li', 'B', 'Se']
  • Chemical System: B-Li-Se
  • Density: 4.288909699109625
  • Atomic Density: 0.05402128758157917
  • Unit Cell Volume: 333.2019802900414
  • Molar Volume: 11.147717926763193
  • Full Formula: Li4 B4 Se10
  • Reduced Formula: Li2B2Se5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m