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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147565

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-1147565
  • 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: 28
  • Number of elements: 4
  • Element list: ['Cu', 'Pb', 'Br', 'O']
  • Chemical System: Br-Cu-O-Pb
  • Density: 5.9546320153920895
  • Atomic Density: 0.03747911547090238
  • Unit Cell Volume: 747.0827325617738
  • Molar Volume: 16.06799062447299
  • Full Formula: Cu4 Pb8 Br8 O8
  • Reduced Formula: CuPb2(BrO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -126.90077871
  • Final energy per atom: -4.5321706682142855
  • 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.