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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227872

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-1227872
  • 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: 37
  • Number of elements: 4
  • Element list: ['Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Pb
  • Density: 7.707953987546725
  • Atomic Density: 0.050412222761839764
  • Unit Cell Volume: 733.9489904025352
  • Molar Volume: 11.945794948280962
  • Full Formula: Bi12 Pb2 Cl6 O17
  • Reduced Formula: Bi12Pb2Cl6O17
  • Formula Anonymous: A2B6C12D17
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -209.27959507
  • Final energy per atom: -5.656205272162162
  • 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.