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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229189

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-1229189
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 4
  • Element list: ['Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Pb
  • Density: 7.554322680466985
  • Atomic Density: 0.04888233138481592
  • Unit Cell Volume: 961.492602102022
  • Molar Volume: 12.31966763735542
  • Full Formula: Bi14 Pb4 Cl8 O21
  • Reduced Formula: Bi14Pb4Cl8O21
  • Formula Anonymous: A4B8C14D21
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -262.88508584
  • Final energy per atom: -5.593299698723404
  • 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.