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  1. Third-Parties
  2. MatprojStructure
  3. mp-5859

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-5859
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Al', 'P', 'O']
  • Chemical System: Al-O-P
  • Density: 1.6199779870736313
  • Atomic Density: 0.047997556868099166
  • Unit Cell Volume: 1500.0763517580972
  • Molar Volume: 12.5467651958813
  • Full Formula: Al12 P12 O48
  • Reduced Formula: AlPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 184
  • Spacegroup Symbol: P6cc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -571.31769383
  • Final energy per atom: -7.934967969861112
  • 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.