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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203262

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-1203262
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Si
  • Density: 1.8235534322060032
  • Atomic Density: 0.10587673604214001
  • Unit Cell Volume: 311.68320099011805
  • Molar Volume: 5.687879117848068
  • Full Formula: Si1 H12 C4 N10 F6
  • Reduced Formula: SiH12C4(N5F3)2
  • Formula Anonymous: AB4C6D10E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -211.22821301
  • Final energy per atom: -6.40085493969697
  • 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.