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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229326

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-1229326
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 182
  • Number of elements: 7
  • Element list: ['Al', 'P', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: Al-C-F-H-N-O-P
  • Density: 1.9324868563722095
  • Atomic Density: 0.08299809889591009
  • Unit Cell Volume: 2192.8213106212297
  • Molar Volume: 7.255757469279521
  • Full Formula: Al16 P16 H44 C28 N8 O66 F4
  • Reduced Formula: Al8P8H22C14N4O33F2
  • Formula Anonymous: A2B4C8D8E14F22G33
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1272.33528819
  • Final energy per atom: -6.990853231813187
  • 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.