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  1. Third-Parties
  2. MatprojStructure
  3. mp-542803

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-542803
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['V', 'Zn', 'Fe', 'O']
  • Chemical System: Fe-O-V-Zn
  • Density: 3.7872894173186054
  • Atomic Density: 0.07607727921309615
  • Unit Cell Volume: 486.347571610194
  • Molar Volume: 7.915820363569644
  • Full Formula: V6 Zn3 Fe4 O24
  • Reduced Formula: V6Zn3(FeO6)4
  • Formula Anonymous: A3B4C6D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -288.23927422
  • Final energy per atom: -7.790250654594596
  • 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.