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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215028

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-1215028
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'N', 'O']
  • Chemical System: Al-H-N-O-P
  • Density: 2.243363443740764
  • Atomic Density: 0.11000595851479913
  • Unit Cell Volume: 581.7866674139298
  • Molar Volume: 5.47437688040311
  • Full Formula: Al4 P6 H24 N6 O24
  • Reduced Formula: Al2P3H12(NO4)3
  • Formula Anonymous: A2B3C3D12E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -416.15239246
  • Final energy per atom: -6.5023811321875
  • 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.