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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195366

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-1195366
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Cu', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Pb
  • Density: 5.917617749440107
  • Atomic Density: 0.04625864979358301
  • Unit Cell Volume: 1383.5250333847414
  • Molar Volume: 13.01841015004158
  • Full Formula: Cu8 Pb16 Cl24 O16
  • Reduced Formula: CuPb2Cl3O2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -284.63414213
  • Final energy per atom: -4.44740847078125
  • 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.