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  1. Third-Parties
  2. MatprojStructure
  3. mp-1518737

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-1518737
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Dy', 'Ni', 'O']
  • Chemical System: Ba-Dy-Ni-O
  • Density: 5.284457715953257
  • Atomic Density: 0.07883741689660985
  • Unit Cell Volume: 228.31798286346483
  • Molar Volume: 7.6386835046836286
  • Full Formula: Ba1 Dy1 Ni4 O12
  • Reduced Formula: BaDy(NiO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -108.0833436
  • Final energy per atom: -6.0046302
  • 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.