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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227547

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-1227547
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 5
  • Element list: ['Cu', 'Pb', 'Se', 'N', 'O']
  • Chemical System: Cu-N-O-Pb-Se
  • Density: 4.63798915495105
  • Atomic Density: 0.06944568962809311
  • Unit Cell Volume: 619.1888975439746
  • Molar Volume: 8.671727204741938
  • Full Formula: Cu6 Pb2 Se6 N2 O27
  • Reduced Formula: Cu6Pb2Se6N2O27
  • Formula Anonymous: A2B2C6D6E27
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -247.68712477
  • Final energy per atom: -5.7601656923255815
  • 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.