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  1. Third-Parties
  2. MatprojStructure
  3. mp-708964

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-708964
  • 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: 96
  • Number of elements: 7
  • Element list: ['Al', 'P', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: Al-C-F-H-N-O-P
  • Density: 2.0848862155837824
  • Atomic Density: 0.09751959558066947
  • Unit Cell Volume: 984.4175360693283
  • Molar Volume: 6.17531350918945
  • Full Formula: Al8 P8 H32 C8 N4 O32 F4
  • Reduced Formula: Al2P2H8C2NO8F
  • Formula Anonymous: ABC2D2E2F8G8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -630.71805464
  • Final energy per atom: -6.569979735833333
  • 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.