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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099605

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-1099605
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 4.952917311687273
  • Atomic Density: 0.08772264977528767
  • Unit Cell Volume: 455.98257807379173
  • Molar Volume: 6.864978173170159
  • Full Formula: Sr4 Ca4 Fe2 Co6 O24
  • Reduced Formula: Sr2Ca2Fe(CoO4)3
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -273.87274366
  • Final energy per atom: -6.846818591500001
  • 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.