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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222421

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-1222421
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Li', 'N']
  • Chemical System: Li-N
  • Density: 1.396533825312444
  • Atomic Density: 0.08610506993798833
  • Unit Cell Volume: 58.06858996341249
  • Molar Volume: 6.9939444498878665
  • Full Formula: Li3 N2
  • Reduced Formula: Li3N2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -20.80516679
  • Final energy per atom: -4.161033358
  • 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.