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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235012

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-1235012
  • 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: 37
  • Number of elements: 5
  • Element list: ['Ba', 'Yb', 'Mg', 'Co', 'O']
  • Chemical System: Ba-Co-Mg-O-Yb
  • Density: 8.357060480170116
  • Atomic Density: 0.07407995539648102
  • Unit Cell Volume: 499.4603439212869
  • Molar Volume: 8.129244581437838
  • Full Formula: Ba4 Yb8 Mg1 Co4 O20
  • Reduced Formula: Ba4Yb8Mg(CoO5)4
  • Formula Anonymous: AB4C4D8E20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -249.15766078
  • Final energy per atom: -6.733990831891892
  • 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.