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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179548

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-1179548
  • 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: 50
  • Number of elements: 5
  • Element list: ['Si', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-Si
  • Density: 1.9438555462949254
  • Atomic Density: 0.11887711376960658
  • Unit Cell Volume: 420.6024054125677
  • Molar Volume: 5.065853778778137
  • Full Formula: Si2 H24 N4 O8 F12
  • Reduced Formula: SiH12N2(O2F3)2
  • Formula Anonymous: AB2C4D6E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -267.22505706
  • Final energy per atom: -5.344501141199999
  • 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.