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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048044

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-1048044
  • 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: 28
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'O']
  • Chemical System: Fe-O-Zn
  • Density: 3.91919869496883
  • Atomic Density: 0.07634936421327822
  • Unit Cell Volume: 366.7352084528611
  • Molar Volume: 7.887610881968111
  • Full Formula: Zn2 Fe8 O18
  • Reduced Formula: ZnFe4O9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -191.06756422
  • Final energy per atom: -6.823841579285714
  • 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.