Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 43
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['In', 'S']
  • Chemical System: In-S
  • Density: 4.640379249462483
  • Atomic Density: 0.042882686162003344
  • Unit Cell Volume: 932.7773882654399
  • Molar Volume: 14.043291824699129
  • Full Formula: In16 S24
  • Reduced Formula: In2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm