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  1. Third-Parties
  2. MatprojStructure
  3. mp-27689

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-27689
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['P', 'H', 'Br']
  • Chemical System: Br-H-P
  • Density: 2.3540322724163016
  • Atomic Density: 0.07402161347241179
  • Unit Cell Volume: 162.11481264823357
  • Molar Volume: 8.135651842072425
  • Full Formula: P2 H8 Br2
  • Reduced Formula: PH4Br
  • Formula Anonymous: ABC4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -45.69529754
  • Final energy per atom: -3.8079414616666667
  • 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.