Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1652433

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-1652433
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Fe', 'O']
  • Chemical System: Ca-Fe-O-Sr
  • Density: 5.083195729351589
  • Atomic Density: 0.08411902352497677
  • Unit Cell Volume: 594.3958679590938
  • Molar Volume: 7.159071168024075
  • Full Formula: Sr8 Ca2 Fe10 O30
  • Reduced Formula: Sr4Ca(FeO3)5
  • Formula Anonymous: AB4C5D15
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -361.29684298
  • Final energy per atom: -7.2259368596
  • 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.