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  1. Third-Parties
  2. MatprojStructure
  3. mp-643203

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-643203
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Cu', 'Pb', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Pb-Se
  • Density: 4.386176976054575
  • Atomic Density: 0.055256827607577406
  • Unit Cell Volume: 796.2816887078449
  • Molar Volume: 10.89845548638442
  • Full Formula: Cu12 Pb2 Se4 Cl10 O16
  • Reduced Formula: Cu6PbSe2Cl5O8
  • Formula Anonymous: AB2C5D6E8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -215.81208948
  • Final energy per atom: -4.904820215454546
  • 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.