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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196362

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-1196362
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Si
  • Density: 1.7977962878258167
  • Atomic Density: 0.09780136750601816
  • Unit Cell Volume: 756.6356369755919
  • Molar Volume: 6.157522040404426
  • Full Formula: Si10 H30 C8 N2 O24
  • Reduced Formula: Si5H15C4NO12
  • Formula Anonymous: AB4C5D12E15
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -480.81229431
  • Final energy per atom: -6.497463436621622
  • 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.