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  1. Third-Parties
  2. MatprojStructure
  3. mp-720721

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-720721
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 6
  • Element list: ['Si', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-H-N-O-Si
  • Density: 1.625437653571915
  • Atomic Density: 0.10442877453095352
  • Unit Cell Volume: 1570.4483820346766
  • Molar Volume: 5.766744642028706
  • Full Formula: Si4 H72 C16 N32 O16 F24
  • Reduced Formula: SiH18C4N8(O2F3)2
  • Formula Anonymous: AB4C4D6E8F18
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -1001.31556051
  • Final energy per atom: -6.105582686036585
  • 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.