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  1. Third-Parties
  2. MatprojStructure
  3. mp-758382

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-758382
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'O']
  • Chemical System: Cu-Li-O
  • Density: 3.8112095762958567
  • Atomic Density: 0.09227075047882967
  • Unit Cell Volume: 270.9417650801044
  • Molar Volume: 6.526597788300966
  • Full Formula: Li7 Cu6 O12
  • Reduced Formula: Li7(CuO2)6
  • Formula Anonymous: A6B7C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -134.36886503
  • Final energy per atom: -5.374754601199999
  • 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.