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  1. Third-Parties
  2. MatprojStructure
  3. mp-774871

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-774871
  • 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: 82
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Cu', 'O']
  • Chemical System: Cu-Li-O-V
  • Density: 4.110645649418422
  • Atomic Density: 0.09179956900727508
  • Unit Cell Volume: 893.2503810938539
  • Molar Volume: 6.560096986427843
  • Full Formula: Li10 V12 Cu12 O48
  • Reduced Formula: Li5V6(CuO4)6
  • Formula Anonymous: A5B6C6D24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -571.50371129
  • Final energy per atom: -6.969557454756097
  • 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.