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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228357

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-1228357
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Pr-Y
  • Density: 6.305983500681687
  • Atomic Density: 0.07132124396212894
  • Unit Cell Volume: 364.54776383044873
  • Molar Volume: 8.443684413577687
  • Full Formula: Ba4 Pr1 Y1 Cu6 O14
  • Reduced Formula: Ba4PrY(Cu3O7)2
  • Formula Anonymous: ABC4D6E14
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -168.97315547
  • Final energy per atom: -6.498967518076923
  • 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.