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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196875

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-1196875
  • 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: 36
  • Number of elements: 4
  • Element list: ['Li', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N
  • Density: 1.4456587176777356
  • Atomic Density: 0.12053746383438871
  • Unit Cell Volume: 298.66233165036437
  • Molar Volume: 4.996073891411937
  • Full Formula: Li4 H16 C4 N12
  • Reduced Formula: LiH4CN3
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -216.50243472
  • Final energy per atom: -6.01395652
  • 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.