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  1. Third-Parties
  2. MatprojStructure
  3. mp-22245

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-22245
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Yb', 'Co', 'O']
  • Chemical System: Ba-Co-O-Yb
  • Density: 6.159570966135269
  • Atomic Density: 0.07327498599781355
  • Unit Cell Volume: 354.82777165970134
  • Molar Volume: 8.218549178814849
  • Full Formula: Ba2 Yb2 Co8 O14
  • Reduced Formula: BaYbCo4O7
  • Formula Anonymous: ABC4D7
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -180.9911124
  • Final energy per atom: -6.961196630769231
  • 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.