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  1. Third-Parties
  2. MatprojStructure
  3. mp-672315

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-672315
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['P', 'C', 'S', 'N']
  • Chemical System: C-N-P-S
  • Density: 1.5997348654681862
  • Atomic Density: 0.047826803828006186
  • Unit Cell Volume: 1003.6213202248819
  • Molar Volume: 12.591560125273485
  • Full Formula: P6 C12 S12 N18
  • Reduced Formula: PC2S2N3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -350.41693357
  • Final energy per atom: -7.300352782708334
  • 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.