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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210974

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-1210974
  • 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: 36
  • Number of elements: 4
  • Element list: ['Li', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N
  • Density: 1.6733635562877034
  • Atomic Density: 0.09966373798960504
  • Unit Cell Volume: 361.2146275685025
  • Molar Volume: 6.042459254968052
  • Full Formula: Li4 H8 C4 N20
  • Reduced Formula: LiH2CN5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -252.14894616000004
  • Final energy per atom: -7.004137393333334
  • 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.