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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247815

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-1247815
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'O', 'F']
  • Chemical System: Al-F-H-O-P
  • Density: 2.4480082500566676
  • Atomic Density: 0.09830033495353606
  • Unit Cell Volume: 651.0659402152708
  • Molar Volume: 6.12626677502829
  • Full Formula: Al4 P8 H16 O32 F4
  • Reduced Formula: AlP2H4O8F
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -428.36083853
  • Final energy per atom: -6.69313810203125
  • 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.