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  1. Third-Parties
  2. MatprojStructure
  3. mp-568358

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-568358
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si
  • Density: 0.9476502133015416
  • Atomic Density: 0.0903048074118292
  • Unit Cell Volume: 1018.7718974964421
  • Molar Volume: 6.668682357669419
  • Full Formula: Si8 H60 C20 N4
  • Reduced Formula: Si2H15C5N
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -492.01290475
  • Final energy per atom: -5.347966355978261
  • 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.