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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201090

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-1201090
  • 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: 252
  • Number of elements: 4
  • Element list: ['Si', 'H', 'C', 'N']
  • Chemical System: C-H-N-Si
  • Density: 0.8821066430064709
  • Atomic Density: 0.0883202368862193
  • Unit Cell Volume: 2853.2532167530885
  • Molar Volume: 6.818528767940432
  • Full Formula: Si20 H168 C56 N8
  • Reduced Formula: Si5H42(C7N)2
  • Formula Anonymous: A2B5C14D42
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1328.75858965
  • Final energy per atom: -5.272851546230159
  • 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.