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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228466

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-1228466
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Al', 'O']
  • Chemical System: Al-Ba-Nd-O
  • Density: 5.698906898528361
  • Atomic Density: 0.063452006755806
  • Unit Cell Volume: 851.0369137388846
  • Molar Volume: 9.490859419428778
  • Full Formula: Ba12 Nd4 Al8 O30
  • Reduced Formula: Ba6Nd2Al4O15
  • Formula Anonymous: A2B4C6D15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -400.43749948
  • Final energy per atom: -7.415509249629629
  • 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.