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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173223

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-1173223
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 6
  • Element list: ['Sr', 'Y', 'Fe', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-Fe-O-Sr-Y
  • Density: 5.60930527231682
  • Atomic Density: 0.068297170801545
  • Unit Cell Volume: 644.2433776335087
  • Molar Volume: 8.817555235924603
  • Full Formula: Sr6 Y4 Fe2 Cu6 Bi2 O24
  • Reduced Formula: Sr3Y2FeCu3BiO12
  • Formula Anonymous: ABC2D3E3F12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -300.18352383
  • Final energy per atom: -6.822352814318182
  • 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.