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  1. Third-Parties
  2. MatprojStructure
  3. mp-1076429

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-1076429
  • Created at: Sept. 4, 2022, 2:42 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: ['Ba', 'Sr', 'Co', 'Cu', 'O']
  • Chemical System: Ba-Co-Cu-O-Sr
  • Density: 5.723853776280451
  • Atomic Density: 0.08257915824109768
  • Unit Cell Volume: 484.38372165548367
  • Molar Volume: 7.292567384154958
  • Full Formula: Ba2 Sr6 Co5 Cu3 O24
  • Reduced Formula: Ba2Sr6Co5(CuO8)3
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -255.02212342
  • Final energy per atom: -6.3755530855
  • 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.