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  1. Third-Parties
  2. MatprojStructure
  3. mp-675056

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-675056
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'S']
  • Chemical System: Na-S-Ti
  • Density: 2.994478129950835
  • Atomic Density: 0.0500525608603074
  • Unit Cell Volume: 659.3069252160803
  • Molar Volume: 12.031633659678878
  • Full Formula: Na3 Ti10 S20
  • Reduced Formula: Na3(TiS2)10
  • Formula Anonymous: A3B10C20
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -219.76034832
  • Final energy per atom: -6.659404494545455
  • 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.