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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209081

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-1209081
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Ca-Fe-O-Sr
  • Density: 6.067087721655511
  • Atomic Density: 0.06576082889478427
  • Unit Cell Volume: 486.61187119765816
  • Molar Volume: 9.157641199497771
  • Full Formula: Sr4 Ca2 Fe4 Bi4 O18
  • Reduced Formula: Sr2CaFe2Bi2O9
  • Formula Anonymous: AB2C2D2E9
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -218.98667299
  • Final energy per atom: -6.8433335309375
  • 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.