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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228601

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-1228601
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Eu', 'Cu', 'O']
  • Chemical System: Ba-Cu-Eu-O-Pr
  • Density: 6.571777011913311
  • Atomic Density: 0.07108931408668065
  • Unit Cell Volume: 365.73710597766734
  • Molar Volume: 8.471232051355962
  • Full Formula: Ba4 Pr1 Eu1 Cu6 O14
  • Reduced Formula: Ba4PrEu(Cu3O7)2
  • Formula Anonymous: ABC4D6E14
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -171.29270258
  • Final energy per atom: -6.588180868461539
  • 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.