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  1. Third-Parties
  2. MatprojStructure
  3. mp-667342

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-667342
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Bi', 'Pb', 'O']
  • Chemical System: Bi-O-Pb
  • Density: 8.883944586060947
  • Atomic Density: 0.0581726358002335
  • Unit Cell Volume: 567.2770288993428
  • Molar Volume: 10.352188236201306
  • Full Formula: Bi12 Pb1 O20
  • Reduced Formula: Bi12PbO20
  • Formula Anonymous: AB12C20
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -201.9800489
  • Final energy per atom: -6.120607542424243
  • 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.