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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198718

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-1198718
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 248
  • Number of elements: 5
  • Element list: ['Li', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N-Si
  • Density: 0.9087305503622741
  • Atomic Density: 0.09307572743927524
  • Unit Cell Volume: 2664.497037230259
  • Molar Volume: 6.470151698711121
  • Full Formula: Li8 Si8 H152 C48 N32
  • Reduced Formula: LiSiH19(C3N2)2
  • Formula Anonymous: ABC4D6E19
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1352.69934771
  • Final energy per atom: -5.4544328536693545
  • 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.