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  1. Third-Parties
  2. MatprojStructure
  3. mp-1522453

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-1522453
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Nd', 'Nb', 'O']
  • Chemical System: Ba-Nb-Nd-O-Sr
  • Density: 5.826547580071708
  • Atomic Density: 0.06287189838946375
  • Unit Cell Volume: 636.2142869015597
  • Molar Volume: 9.578429973110543
  • Full Formula: Ba4 Sr4 Nd4 Nb4 O24
  • Reduced Formula: BaSrNdNbO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -327.06421512
  • Final energy per atom: -8.176605378
  • 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.