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  1. Third-Parties
  2. MatprojStructure
  3. mp-571097

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-571097
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si
  • Density: 1.040918163481442
  • Atomic Density: 0.09828152761065068
  • Unit Cell Volume: 610.4911213600006
  • Molar Volume: 6.127439109266944
  • Full Formula: Si2 H34 C22 N2
  • Reduced Formula: SiH17C11N
  • Formula Anonymous: ABC11D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -355.41203457999995
  • Final energy per atom: -5.9235339096666655
  • 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.