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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205240

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-1205240
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 320
  • Number of elements: 4
  • Element list: ['Al', 'B', 'H', 'N']
  • Chemical System: Al-B-H-N
  • Density: 0.8139922773733809
  • Atomic Density: 0.11288832149655349
  • Unit Cell Volume: 2834.6599166129836
  • Molar Volume: 5.33460032017914
  • Full Formula: Al8 B24 H240 N48
  • Reduced Formula: AlB3(H5N)6
  • Formula Anonymous: AB3C6D30
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1524.54463
  • Final energy per atom: -4.76420196875
  • 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.