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  1. Third-Parties
  2. MatprojStructure
  3. mp-995237

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-995237
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Si', 'H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N-Si
  • Density: 3.0655694650275462
  • Atomic Density: 0.050250307382130766
  • Unit Cell Volume: 955.2180374735183
  • Molar Volume: 11.984286412826005
  • Full Formula: Si4 H24 C4 I12 N4
  • Reduced Formula: SiH6CI3N
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -210.35288708
  • Final energy per atom: -4.382351814166666
  • 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.