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  1. Third-Parties
  2. MatprojStructure
  3. mp-39938

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-39938
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Re', 'C', 'S', 'N']
  • Chemical System: C-K-N-Re-S
  • Density: 4.932077904562068
  • Atomic Density: 0.043298995175892245
  • Unit Cell Volume: 1108.5707602453822
  • Molar Volume: 13.908269084620633
  • Full Formula: K8 Re12 C4 S20 N4
  • Reduced Formula: K2Re3CS5N
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -354.33882363000004
  • Final energy per atom: -7.382058825625001
  • 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.