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  1. Third-Parties
  2. MatprojStructure
  3. mp-18763

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-18763
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Ni', 'O']
  • Chemical System: Ba-Nd-Ni-O
  • Density: 6.861310150521072
  • Atomic Density: 0.06587724669037227
  • Unit Cell Volume: 136.61773149537711
  • Molar Volume: 9.141457881967183
  • Full Formula: Ba1 Nd2 Ni1 O5
  • Reduced Formula: BaNd2NiO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -69.06570942
  • Final energy per atom: -7.673967713333334
  • 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.