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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195239

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-1195239
  • 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: 80
  • Number of elements: 4
  • Element list: ['B', 'Pb', 'Br', 'O']
  • Chemical System: B-Br-O-Pb
  • Density: 7.025691219263534
  • Atomic Density: 0.05583482155537876
  • Unit Cell Volume: 1432.797630071289
  • Molar Volume: 10.785636261104639
  • Full Formula: B12 Pb24 Br4 O40
  • Reduced Formula: B3Pb6BrO10
  • Formula Anonymous: AB3C6D10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -536.62743755
  • Final energy per atom: -6.707842969374999
  • 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.