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  1. Third-Parties
  2. MatprojStructure
  3. mp-23008

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-23008
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pb', 'Br', 'F']
  • Chemical System: Br-F-Pb
  • Density: 7.34736775378373
  • Atomic Density: 0.04336478483818198
  • Unit Cell Volume: 138.36111541632968
  • Molar Volume: 13.88716854579572
  • Full Formula: Pb2 Br2 F2
  • Reduced Formula: PbBrF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -26.47834347
  • Final energy per atom: -4.413057245
  • 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.