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  1. Third-Parties
  2. MatprojStructure
  3. mp-1075966

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-1075966
  • Created at: Sept. 4, 2022, 2:46 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: 4.854832211687516
  • Atomic Density: 0.08677355335628101
  • Unit Cell Volume: 460.9699436389929
  • Molar Volume: 6.940064716808205
  • Full Formula: Sr4 Ca4 Fe6 Co2 O24
  • Reduced Formula: Sr2Ca2Fe3CoO12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -283.93498785
  • Final energy per atom: -7.0983746962500005
  • 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.