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  1. Third-Parties
  2. MatprojStructure
  3. mp-1076805

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-1076805
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Fe', 'Co', 'O']
  • Chemical System: Ca-Co-Fe-O-Sr
  • Density: 5.218520238392138
  • Atomic Density: 0.08657109958327133
  • Unit Cell Volume: 462.047960491996
  • Molar Volume: 6.956294639884296
  • Full Formula: Sr6 Ca2 Fe3 Co5 O24
  • Reduced Formula: Sr6Ca2Fe3Co5O24
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -276.05747773
  • Final energy per atom: -6.90143694325
  • 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.