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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228702

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-1228702
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ba', 'Nd', 'Cu', 'Ni', 'O']
  • Chemical System: Ba-Cu-Nd-Ni-O
  • Density: 6.549635687687113
  • Atomic Density: 0.07276543825230324
  • Unit Cell Volume: 384.7980672213394
  • Molar Volume: 8.276100446367312
  • Full Formula: Ba4 Nd2 Cu6 Ni1 O15
  • Reduced Formula: Ba4Nd2Cu6NiO15
  • Formula Anonymous: AB2C4D6E15
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -179.52308755
  • Final energy per atom: -6.411538841071429
  • 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.