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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216357

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-1216357
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['V', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-O-V
  • Density: 5.301368744330187
  • Atomic Density: 0.08527401383471207
  • Unit Cell Volume: 140.72282352346852
  • Molar Volume: 7.062105428358055
  • Full Formula: V1 Fe2 Cu3 O6
  • Reduced Formula: VFe2(CuO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -85.93052647
  • Final energy per atom: -7.160877205833334
  • 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.