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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210323

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-1210323
  • 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: 90
  • Number of elements: 6
  • Element list: ['Na', 'Al', 'Fe', 'P', 'H', 'O']
  • Chemical System: Al-Fe-H-Na-O-P
  • Density: 2.9548307859051803
  • Atomic Density: 0.10943632148151422
  • Unit Cell Volume: 822.3960635884736
  • Molar Volume: 5.5028720615552205
  • Full Formula: Na2 Al10 Fe2 P8 H20 O48
  • Reduced Formula: NaAl5FeP4(H5O12)2
  • Formula Anonymous: ABC4D5E10F24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -624.295312
  • Final energy per atom: -6.936614577777777
  • 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.