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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218462

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-1218462
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Fe', 'O']
  • Chemical System: Ca-Fe-O-Sr
  • Density: 4.896822845579475
  • Atomic Density: 0.07107778707545336
  • Unit Cell Volume: 562.7637219140994
  • Molar Volume: 8.472605869970508
  • Full Formula: Sr8 Ca2 Fe10 O20
  • Reduced Formula: Sr4Ca(FeO2)5
  • Formula Anonymous: AB4C5D10
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -292.75125857
  • Final energy per atom: -7.31878146425
  • 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.