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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228235

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-1228235
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ba', 'Dy', 'Cu', 'Ni', 'O']
  • Chemical System: Ba-Cu-Dy-Ni-O
  • Density: 6.679719956043084
  • Atomic Density: 0.07246714834735533
  • Unit Cell Volume: 386.3819763651822
  • Molar Volume: 8.31016660285043
  • Full Formula: Ba4 Dy2 Cu6 Ni1 O15
  • Reduced Formula: Ba4Dy2Cu6NiO15
  • Formula Anonymous: AB2C4D6E15
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -180.99607472
  • Final energy per atom: -6.464145525714286
  • 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.