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  1. Third-Parties
  2. MatprojStructure
  3. mp-752568

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-752568
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Cr', 'O']
  • Chemical System: Cr-Li-O-V
  • Density: 3.9239826549848025
  • Atomic Density: 0.10899348959176762
  • Unit Cell Volume: 155.97261876533244
  • Molar Volume: 5.525229793592056
  • Full Formula: Li5 V2 Cr2 O8
  • Reduced Formula: Li5V2Cr2O8
  • Formula Anonymous: A2B2C5D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -125.36858515
  • Final energy per atom: -7.374622655882353
  • 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.