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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217968

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1217968
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Se', 'S']
  • Chemical System: S-Se-Ta
  • Density: 12.496807830746645
  • Atomic Density: 0.054089156620978664
  • Unit Cell Volume: 110.9279636590392
  • Molar Volume: 11.133730189581643
  • Full Formula: Ta4 Se1 S1
  • Reduced Formula: Ta4SeS
  • Formula Anonymous: ABC4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -59.06025448000001
  • Final energy per atom: -9.843375746666668
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.