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  1. Third-Parties
  2. MatprojStructure
  3. mp-756927

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-756927
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'Cu', 'O']
  • Chemical System: Cu-Li-Nb-O
  • Density: 4.997520391924855
  • Atomic Density: 0.09891240638249608
  • Unit Cell Volume: 242.6389254669587
  • Molar Volume: 6.088357345904892
  • Full Formula: Li5 Nb2 Cu5 O12
  • Reduced Formula: Li5Nb2Cu5O12
  • Formula Anonymous: A2B5C5D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -155.28952909
  • Final energy per atom: -6.470397045416667
  • 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.