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  1. Third-Parties
  2. MatprojStructure
  3. mp-1076482

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-1076482
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Mn', 'Fe', 'O']
  • Chemical System: Ca-Fe-Mn-O-Sr
  • Density: 4.240014801698223
  • Atomic Density: 0.07489936450977965
  • Unit Cell Volume: 1922.5797300482816
  • Molar Volume: 8.040309553245523
  • Full Formula: Sr12 Ca20 Mn12 Fe20 O80
  • Reduced Formula: Sr3Ca5Mn3(FeO4)5
  • Formula Anonymous: A3B3C5D5E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1084.92569275
  • Final energy per atom: -7.534206199652778
  • 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.