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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97634
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ta', 'P', 'S', 'Cl']
  • Chemical System: Cl-P-S-Ta
  • Density: 2.8459155344577307
  • Atomic Density: 0.040016248853057976
  • Unit Cell Volume: 749.6954577167332
  • Molar Volume: 15.049238578342653
  • Full Formula: Ta2 P8 S10 Cl10
  • Reduced Formula: TaP4(SCl)5
  • Formula Anonymous: AB4C5D5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1