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  1. Third-Parties
  2. MatprojStructure
  3. mp-554185

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-554185
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Al', 'P', 'O']
  • Chemical System: Al-O-P
  • Density: 1.4487519055688285
  • Atomic Density: 0.042924380781815104
  • Unit Cell Volume: 2236.4912027029254
  • Molar Volume: 14.029650865811155
  • Full Formula: Al16 P16 O64
  • Reduced Formula: AlPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -761.4412103
  • Final energy per atom: -7.931679273958333
  • 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.