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  1. Third-Parties
  2. MatprojStructure
  3. mp-766078

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-766078
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Li', 'V', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-Li-O-V
  • Density: 3.586647127393425
  • Atomic Density: 0.07787305924114646
  • Unit Cell Volume: 487.97363774199346
  • Molar Volume: 7.733278772767193
  • Full Formula: Li2 V6 Fe4 Cu2 O24
  • Reduced Formula: LiV3Fe2CuO12
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -296.60427994
  • Final energy per atom: -7.805375787894738
  • 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.