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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222299

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-1222299
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'B', 'N']
  • Chemical System: B-Li-Mg-N
  • Density: 1.7950894093159278
  • Atomic Density: 0.07713871408912733
  • Unit Cell Volume: 64.81829596255544
  • Molar Volume: 7.806898042196971
  • Full Formula: Li1 Mg1 B1 N2
  • Reduced Formula: LiMgBN2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -32.28988471
  • Final energy per atom: -6.457976942
  • 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.