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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227898

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-1227898
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Ta', 'Co', 'O']
  • Chemical System: Ba-Co-O-Pr-Ta
  • Density: 7.53152603166135
  • Atomic Density: 0.07385607297029498
  • Unit Cell Volume: 270.79695948692034
  • Molar Volume: 8.153887037051259
  • Full Formula: Ba2 Pr2 Ta2 Co2 O12
  • Reduced Formula: BaPrTaCoO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -170.63913028000002
  • Final energy per atom: -8.531956514
  • 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.