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  1. Third-Parties
  2. MatprojStructure
  3. mp-555611

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-555611
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 6
  • Element list: ['Cs', 'K', 'Re', 'C', 'S', 'N']
  • Chemical System: C-Cs-K-N-Re-S
  • Density: 4.425813750285946
  • Atomic Density: 0.04063596584482194
  • Unit Cell Volume: 2953.049041783538
  • Molar Volume: 14.81973083400299
  • Full Formula: Cs12 K4 Re24 C24 S32 N24
  • Reduced Formula: Cs3KRe6C6(S4N3)2
  • Formula Anonymous: AB3C6D6E6F8
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -947.28764446
  • Final energy per atom: -7.894063703833334
  • 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.