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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193833

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-1193833
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Cu', 'Pb', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Pb-Se
  • Density: 4.837319102746848
  • Atomic Density: 0.05745637102178184
  • Unit Cell Volume: 452.5172672347048
  • Molar Volume: 10.481241075453571
  • Full Formula: Cu4 Pb2 Se4 Cl4 O12
  • Reduced Formula: Cu2PbSe2(ClO3)2
  • Formula Anonymous: AB2C2D2E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -135.97042133
  • Final energy per atom: -5.229631589615384
  • 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.