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  1. Third-Parties
  2. MatprojStructure
  3. mp-553930

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-553930
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['B', 'Pb', 'S', 'O']
  • Chemical System: B-O-Pb-S
  • Density: 6.8599495009984555
  • Atomic Density: 0.05826818335713857
  • Unit Cell Volume: 1441.6100719177298
  • Molar Volume: 10.335212826336061
  • Full Formula: B8 Pb24 S4 O48
  • Reduced Formula: B2Pb6SO12
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -562.72741845
  • Final energy per atom: -6.699135933928571
  • 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.