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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213559

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-1213559
  • 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: 120
  • Number of elements: 6
  • Element list: ['K', 'Re', 'Te', 'C', 'S', 'N']
  • Chemical System: C-K-N-Re-S-Te
  • Density: 4.470168406127336
  • Atomic Density: 0.043018524885411656
  • Unit Cell Volume: 2789.495928083162
  • Molar Volume: 13.9989476069697
  • Full Formula: K16 Re24 Te8 C24 S24 N24
  • Reduced Formula: K2Re3TeC3(SN)3
  • Formula Anonymous: AB2C3D3E3F3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -934.11975503
  • Final energy per atom: -7.784331291916667
  • 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.