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  1. Third-Parties
  2. MatprojStructure
  3. mp-1520816

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-1520816
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Eu', 'Zr', 'O']
  • Chemical System: Ba-Eu-O-Zr
  • Density: 6.266406515303093
  • Atomic Density: 0.06646966545960932
  • Unit Cell Volume: 601.7782656707703
  • Molar Volume: 9.059983555445136
  • Full Formula: Ba4 Eu4 Zr8 O24
  • Reduced Formula: BaEuZr2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -379.56222293
  • Final energy per atom: -9.48905557325
  • 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.