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  1. Third-Parties
  2. MatprojStructure
  3. mp-532027

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-532027
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Cd', 'Fe', 'O']
  • Chemical System: Cd-Fe-O
  • Density: 5.537579199220607
  • Atomic Density: 0.08102662419468637
  • Unit Cell Volume: 1036.6962814366962
  • Molar Volume: 7.432298728786142
  • Full Formula: Cd12 Fe24 O48
  • Reduced Formula: Cd(FeO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -585.24459479
  • Final energy per atom: -6.967197557023809
  • 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.