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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194655

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-1194655
  • 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: ['Al', 'B', 'H', 'C', 'N']
  • Chemical System: Al-B-C-H-N
  • Density: 0.801677807106295
  • Atomic Density: 0.09745898316253246
  • Unit Cell Volume: 1067.1155867341554
  • Molar Volume: 6.1791541062529545
  • Full Formula: Al4 B8 H72 C16 N4
  • Reduced Formula: AlB2H18C4N
  • Formula Anonymous: ABC2D4E18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -512.53297375
  • Final energy per atom: -4.928201670673077
  • 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.