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  1. Third-Parties
  2. MatprojStructure
  3. mp-694945

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-694945
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'Co', 'O']
  • Chemical System: Ba-Co-La-Mn-O
  • Density: 6.802954098462993
  • Atomic Density: 0.08375782602778645
  • Unit Cell Volume: 596.9591424616564
  • Molar Volume: 7.189943967745974
  • Full Formula: Ba3 La7 Mn2 Co8 O30
  • Reduced Formula: Ba3La7Mn2(Co4O15)2
  • Formula Anonymous: A2B3C7D8E30
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -387.09135274
  • Final energy per atom: -7.7418270548
  • 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.