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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120829

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-1120829
  • Created at: Sept. 4, 2022, 2:43 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: 4.687076109467207
  • Atomic Density: 0.08768314283981822
  • Unit Cell Volume: 456.188027761197
  • Molar Volume: 6.86807129051179
  • Full Formula: Sr3 Ca5 Mn7 Fe1 O24
  • Reduced Formula: Sr3Ca5Mn7FeO24
  • Formula Anonymous: AB3C5D7E24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -302.46995708000003
  • Final energy per atom: -7.561748927000001
  • 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.