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  1. Third-Parties
  2. MatprojStructure
  3. mp-601401

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-601401
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'C', 'S', 'N']
  • Chemical System: C-K-N-S
  • Density: 1.5233316185452173
  • Atomic Density: 0.037759421095786165
  • Unit Cell Volume: 423.7353099088045
  • Molar Volume: 15.948710507831521
  • Full Formula: K4 C4 S4 N4
  • Reduced Formula: KCSN
  • Formula Anonymous: ABCD
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -100.93542664
  • Final energy per atom: -6.308464165
  • 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.