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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214981

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-1214981
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Al', 'P', 'C', 'N', 'O']
  • Chemical System: Al-C-N-O-P
  • Density: 1.8974416345454501
  • Atomic Density: 0.06411974045189871
  • Unit Cell Volume: 1060.5158336692298
  • Molar Volume: 9.392022983183603
  • Full Formula: Al4 P8 C4 N12 O40
  • Reduced Formula: AlP2CN3O10
  • Formula Anonymous: ABC2D3E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -440.69225301
  • Final energy per atom: -6.480768426617647
  • 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.