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  1. Third-Parties
  2. MatprojStructure
  3. mp-752833

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-752833
  • 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: 24
  • Number of elements: 4
  • Element list: ['P', 'H', 'N', 'F']
  • Chemical System: F-H-N-P
  • Density: 1.812105217483252
  • Atomic Density: 0.07703740525549778
  • Unit Cell Volume: 311.5369724668555
  • Molar Volume: 7.817164583915201
  • Full Formula: P4 H8 N4 F8
  • Reduced Formula: PH2NF2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -131.78328154000002
  • Final energy per atom: -5.490970064166667
  • 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.