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-38004
  • 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: 13
  • Number of elements: 4
  • Element list: ['Li', 'P', 'S', 'Br']
  • Chemical System: Br-Li-P-S
  • Density: 1.9666342056114832
  • Atomic Density: 0.04921340368874698
  • Unit Cell Volume: 264.15567763244445
  • Molar Volume: 12.236789794275108
  • Full Formula: Li6 P1 S5 Br1
  • Reduced Formula: Li6PS5Br
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m