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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228789

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-1228789
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Co', 'Cu', 'O']
  • Chemical System: Ba-Co-Cu-O-Y
  • Density: 6.155242152697643
  • Atomic Density: 0.07410797768526892
  • Unit Cell Volume: 539.752955746236
  • Molar Volume: 8.126170687824711
  • Full Formula: Ba6 Y3 Co3 Cu6 O22
  • Reduced Formula: Ba6Y3Co3(Cu3O11)2
  • Formula Anonymous: A3B3C6D6E22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -273.7227019
  • Final energy per atom: -6.8430675475000005
  • 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.