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  1. Third-Parties
  2. MatprojStructure
  3. mp-2659

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-2659
  • 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: 4
  • Number of elements: 2
  • Element list: ['Li', 'N']
  • Chemical System: Li-N
  • Density: 1.790105988509919
  • Atomic Density: 0.08807212453846916
  • Unit Cell Volume: 45.41732155277841
  • Molar Volume: 6.837737583325334
  • Full Formula: Li1 N3
  • Reduced Formula: LiN3
  • Formula Anonymous: AB3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -28.52704753
  • Final energy per atom: -7.1317618825
  • 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.