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-102656
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ag', 'S', 'Sb', 'Tl']
  • Chemical System: Ag-S-Sb-Tl
  • Density: 6.165752879051471
  • Atomic Density: 0.037870466117974844
  • Unit Cell Volume: 1478.7248676989523
  • Molar Volume: 15.901945176063334
  • Full Formula: Tl12 Ag12 Sb8 S24
  • Reduced Formula: Tl3Ag3(SbS3)2
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m