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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197444

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-1197444
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 196
  • Number of elements: 5
  • Element list: ['Li', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N-Si
  • Density: 0.8995711766370925
  • Atomic Density: 0.0871726486639233
  • Unit Cell Volume: 2248.4116635670757
  • Molar Volume: 6.908291594095251
  • Full Formula: Li8 Si12 H120 C40 N16
  • Reduced Formula: Li2Si3H30(C5N2)2
  • Formula Anonymous: A2B3C4D10E30
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1049.40644863
  • Final energy per atom: -5.3541145338265315
  • 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.