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  1. Third-Parties
  2. MatprojStructure
  3. mp-1522899

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-1522899
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Pr', 'Bi', 'O']
  • Chemical System: Ba-Bi-Na-O-Pr
  • Density: 5.976684735644012
  • Atomic Density: 0.059373745258016704
  • Unit Cell Volume: 673.6984474564397
  • Molar Volume: 10.14276720094036
  • Full Formula: Ba4 Na4 Pr4 Bi4 O24
  • Reduced Formula: BaNaPrBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -257.9486995
  • Final energy per atom: -6.4487174875
  • 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.