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  1. Third-Parties
  2. MatprojStructure
  3. mp-2251

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-2251
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Li', 'N']
  • Chemical System: Li-N
  • Density: 1.2886089547430535
  • Atomic Density: 0.08912146257637465
  • Unit Cell Volume: 44.882566829197955
  • Molar Volume: 6.757228377888425
  • Full Formula: Li3 N1
  • Reduced Formula: Li3N
  • Formula Anonymous: AB3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -15.89042644
  • Final energy per atom: -3.97260661
  • 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.