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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1745267
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ag', 'S', 'Ti']
  • Chemical System: Ag-S-Ti
  • Density: 3.7779300120102492
  • Atomic Density: 0.05125775543599535
  • Unit Cell Volume: 195.09242874450135
  • Molar Volume: 11.748740671096574
  • Full Formula: Ti3 Ag1 S6
  • Reduced Formula: Ti3AgS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3