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  1. Third-Parties
  2. MatprojStructure
  3. mp-556091

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-556091
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Cs', 'Ta', 'S']
  • Chemical System: Cs-S-Ta
  • Density: 3.663557670921618
  • Atomic Density: 0.03170670639120525
  • Unit Cell Volume: 2018.500414718326
  • Molar Volume: 18.99327128367521
  • Full Formula: Cs12 Ta8 S44
  • Reduced Formula: Cs3Ta2S11
  • Formula Anonymous: A2B3C11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -366.27705086
  • Final energy per atom: -5.7230789196875
  • 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.