Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-667327

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-667327
  • 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: 84
  • Number of elements: 4
  • Element list: ['Ag', 'Pb', 'Cl', 'O']
  • Chemical System: Ag-Cl-O-Pb
  • Density: 7.310081388744856
  • Atomic Density: 0.04346057597839915
  • Unit Cell Volume: 1932.7861655986756
  • Molar Volume: 13.856559938352255
  • Full Formula: Ag8 Pb32 Cl16 O28
  • Reduced Formula: Ag2Pb8Cl4O7
  • Formula Anonymous: A2B4C7D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -425.73822079
  • Final energy per atom: -5.068312152261905
  • 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.