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  1. Third-Parties
  2. MatprojStructure
  3. mp-557020

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-557020
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Sr', 'Fe', 'Cu', 'Se', 'O']
  • Chemical System: Cu-Fe-O-Se-Sr
  • Density: 5.628526127946054
  • Atomic Density: 0.06416538406774792
  • Unit Cell Volume: 218.1861794081734
  • Molar Volume: 9.385342030590241
  • Full Formula: Sr3 Fe2 Cu2 Se2 O5
  • Reduced Formula: Sr3Fe2Cu2Se2O5
  • Formula Anonymous: A2B2C2D3E5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -88.91597909000001
  • Final energy per atom: -6.351141363571429
  • 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.