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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201218

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-1201218
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Si', 'C', 'N', 'O']
  • Chemical System: C-N-O-Si
  • Density: 1.9084159725329914
  • Atomic Density: 0.06376718615004381
  • Unit Cell Volume: 1160.4714660903876
  • Molar Volume: 9.443949346972811
  • Full Formula: Si18 C16 N2 O38
  • Reduced Formula: Si9C8NO19
  • Formula Anonymous: AB8C9D19
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -562.90500793
  • Final energy per atom: -7.606824431486487
  • 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.