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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179831

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-1179831
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['P', 'N', 'O', 'F']
  • Chemical System: F-N-O-P
  • Density: 1.4974167602582067
  • Atomic Density: 0.0508097111207345
  • Unit Cell Volume: 629.800864719764
  • Molar Volume: 11.852342056600428
  • Full Formula: P4 N8 O16 F4
  • Reduced Formula: PN2O4F
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -208.9997652
  • Final energy per atom: -6.5312426625
  • 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.