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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209884

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-1209884
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['P', 'H', 'Br', 'N']
  • Chemical System: Br-H-N-P
  • Density: 1.9742817519453058
  • Atomic Density: 0.06955457140479926
  • Unit Cell Volume: 575.0880092007872
  • Molar Volume: 8.658152351988289
  • Full Formula: P4 H16 Br4 N16
  • Reduced Formula: PH4BrN4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -183.20559106
  • Final energy per atom: -4.580139776499999
  • 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.