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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204104

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-1204104
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 7
  • Element list: ['Si', 'Ag', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: Ag-C-F-H-O-S-Si
  • Density: 1.578587286203843
  • Atomic Density: 0.07390523432276286
  • Unit Cell Volume: 1840.1944225770746
  • Molar Volume: 8.148463116563283
  • Full Formula: Si4 Ag4 H64 C28 S12 O12 F12
  • Reduced Formula: SiAgH16C7S3(OF)3
  • Formula Anonymous: ABC3D3E3F7G16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -717.06395608
  • Final energy per atom: -5.272529088823529
  • 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.