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  1. Third-Parties
  2. MatprojStructure
  3. mp-1075969

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-1075969
  • 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', 'Mn', 'Fe', 'O']
  • Chemical System: Ca-Fe-Mn-O-Sr
  • Density: 5.035975495604609
  • Atomic Density: 0.08449409752708124
  • Unit Cell Volume: 473.40584929236724
  • Molar Volume: 7.127291652614956
  • Full Formula: Sr6 Ca2 Mn1 Fe7 O24
  • Reduced Formula: Sr6Ca2MnFe7O24
  • Formula Anonymous: AB2C6D7E24
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -291.03765567
  • Final energy per atom: -7.27594139175
  • 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.