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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199564

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-1199564
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Li', 'Al', 'B', 'H', 'N']
  • Chemical System: Al-B-H-Li-N
  • Density: 0.862261895651389
  • Atomic Density: 0.12428329215004318
  • Unit Cell Volume: 836.7979170880361
  • Molar Volume: 4.84549504267208
  • Full Formula: Li4 Al2 B10 H76 N12
  • Reduced Formula: Li2AlB5(H19N3)2
  • Formula Anonymous: AB2C5D6E38
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -477.65723831
  • Final energy per atom: -4.592858060673077
  • 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.