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  1. Third-Parties
  2. MatprojStructure
  3. mp-728532

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-728532
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Si', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Si
  • Density: 1.1512893957768058
  • Atomic Density: 0.03305490841486207
  • Unit Cell Volume: 2783.247765969764
  • Molar Volume: 18.2185976267668
  • Full Formula: Si24 C32 N8 Cl16 O12
  • Reduced Formula: Si6C8N2Cl4O3
  • Formula Anonymous: A2B3C4D6E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -595.2344258200001
  • Final energy per atom: -6.4699394110869575
  • 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.