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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229270

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-1229270
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Al', 'H', 'N', 'O']
  • Chemical System: Al-H-N-O
  • Density: 3.0668056975774642
  • Atomic Density: 0.0979004265356691
  • Unit Cell Volume: 633.2965258063598
  • Molar Volume: 6.151291647136889
  • Full Formula: Al22 H4 N2 O34
  • Reduced Formula: Al11H2NO17
  • Formula Anonymous: AB2C11D17
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -464.83103454
  • Final energy per atom: -7.497274750645162
  • 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.