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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228462

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-1228462
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Co', 'Cu', 'S', 'O']
  • Chemical System: Ba-Co-Cu-O-S-Sr
  • Density: 5.733281543657994
  • Atomic Density: 0.058414706385919675
  • Unit Cell Volume: 308.1415813525125
  • Molar Volume: 10.309288760632342
  • Full Formula: Ba3 Sr1 Co2 Cu4 S4 O4
  • Reduced Formula: Ba3SrCo2Cu4(SO)4
  • Formula Anonymous: AB2C3D4E4F4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -101.27342055
  • Final energy per atom: -5.626301141666667
  • 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.