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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218669

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-1218669
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'Y', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-O-Sr-Y
  • Density: 5.600020819386695
  • Atomic Density: 0.0789497283198955
  • Unit Cell Volume: 506.65152181302585
  • Molar Volume: 7.627816951565631
  • Full Formula: Sr6 Y3 Fe1 Cu8 O22
  • Reduced Formula: Sr6Y3Fe(Cu4O11)2
  • Formula Anonymous: AB3C6D8E22
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -269.00210936
  • Final energy per atom: -6.725052734
  • 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.