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-120285
  • 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: ['Li', 'Nb', 'S']
  • Chemical System: Li-Nb-S
  • Density: 2.8752138086499706
  • Atomic Density: 0.0441612223764308
  • Unit Cell Volume: 113.22150363909627
  • Molar Volume: 13.6367166394698
  • Full Formula: Li1 Nb1 S3
  • Reduced Formula: LiNbS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m