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  1. Third-Parties
  2. MatprojStructure
  3. mp-1516591

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-1516591
  • Created at: Sept. 4, 2022, 2:40 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: ['K', 'Ba', 'Pr', 'Bi', 'O']
  • Chemical System: Ba-Bi-K-O-Pr
  • Density: 5.871308073492333
  • Atomic Density: 0.05681711346498134
  • Unit Cell Volume: 704.0132375724015
  • Molar Volume: 10.599167033910806
  • Full Formula: K4 Ba4 Pr4 Bi4 O24
  • Reduced Formula: KBaPrBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -258.60014312
  • Final energy per atom: -6.465003577999999
  • 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.