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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228274

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-1228274
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Pb
  • Density: 7.7213426414484365
  • Atomic Density: 0.050198074935689424
  • Unit Cell Volume: 836.6854715804884
  • Molar Volume: 11.996756385011146
  • Full Formula: Bi13 Pb3 Cl7 O19
  • Reduced Formula: Bi13Pb3Cl7O19
  • Formula Anonymous: A3B7C13D19
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -236.43843281
  • Final energy per atom: -5.629486495476191
  • 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.