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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195238

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-1195238
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Cu', 'Pb', 'I', 'O']
  • Chemical System: Cu-I-O-Pb
  • Density: 5.845062051291179
  • Atomic Density: 0.031616874837744204
  • Unit Cell Volume: 2024.2354859056736
  • Molar Volume: 19.04723598048588
  • Full Formula: Cu8 Pb16 I24 O16
  • Reduced Formula: CuPb2I3O2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -257.15894042
  • Final energy per atom: -4.0181084440625
  • 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.