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  1. Third-Parties
  2. MatprojStructure
  3. mp-680462

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-680462
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Si', 'C', 'S', 'N']
  • Chemical System: C-N-S-Si
  • Density: 1.5933711544062814
  • Atomic Density: 0.04790105102006996
  • Unit Cell Volume: 2171.142339996366
  • Molar Volume: 12.572043059090284
  • Full Formula: Si8 C32 S32 N32
  • Reduced Formula: SiC4(SN)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -764.32596253
  • Final energy per atom: -7.34928810125
  • 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.