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  1. Third-Parties
  2. MatprojStructure
  3. mp-28989

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-28989
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Li', 'Br', 'N']
  • Chemical System: Br-Li-N
  • Density: 1.7084921178654053
  • Atomic Density: 0.07528345461978911
  • Unit Cell Volume: 185.96383588805105
  • Molar Volume: 7.999288542767022
  • Full Formula: Li10 Br1 N3
  • Reduced Formula: Li10BrN3
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -55.02555886
  • Final energy per atom: -3.9303970614285713
  • 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.