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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193066

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-1193066
  • 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: 28
  • Number of elements: 3
  • Element list: ['Cs', 'Fe', 'O']
  • Chemical System: Cs-Fe-O
  • Density: 4.788729046606288
  • Atomic Density: 0.040168135386408135
  • Unit Cell Volume: 697.0699468782034
  • Molar Volume: 14.99233335595094
  • Full Formula: Cs12 Fe4 O12
  • Reduced Formula: Cs3FeO3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -147.47448347
  • Final energy per atom: -5.266945838214285
  • 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.