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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204030

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-1204030
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Si', 'C', 'N', 'O']
  • Chemical System: C-N-O-Si
  • Density: 1.5935029415372024
  • Atomic Density: 0.056297373092728635
  • Unit Cell Volume: 1243.3972697927036
  • Molar Volume: 10.697019113273369
  • Full Formula: Si12 C16 N4 O38
  • Reduced Formula: Si6C8N2O19
  • Formula Anonymous: A2B6C8D19
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -490.9007631
  • Final energy per atom: -7.012868044285715
  • 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.