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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1238839
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ba', 'S']
  • Chemical System: Ba-S
  • Density: 0.9922304237426157
  • Atomic Density: 0.008898203507742246
  • Unit Cell Volume: 674.2934115610476
  • Molar Volume: 67.67816396602066
  • Full Formula: Ba2 S4
  • Reduced Formula: BaS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m