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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85928
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ti', 'Tl', 'P', 'S']
  • Chemical System: P-S-Ti-Tl
  • Density: 3.825100503905308
  • Atomic Density: 0.04154723008049144
  • Unit Cell Volume: 385.10389185999725
  • Molar Volume: 14.49468652502951
  • Full Formula: Ti2 Tl2 P2 S10
  • Reduced Formula: TiTlPS5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1