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-10004
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'B', 'N']
  • Chemical System: B-Ca-Li-N
  • Density: 2.6362782701435346
  • Atomic Density: 0.07833768740126264
  • Unit Cell Volume: 178.7134706733039
  • Molar Volume: 7.6874119721626295
  • Full Formula: Li1 Ca4 B3 N6
  • Reduced Formula: LiCa4(BN2)3
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m