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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199716

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-1199716
  • 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: 160
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Si
  • Density: 2.0142834037055475
  • Atomic Density: 0.11119688667663448
  • Unit Cell Volume: 1438.8892061815288
  • Molar Volume: 5.4157458360436435
  • Full Formula: Si8 H64 C8 N32 F48
  • Reduced Formula: SiH8C(N2F3)2
  • Formula Anonymous: ABC4D6E8
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -930.11971893
  • Final energy per atom: -5.8132482433125
  • 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.