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  1. Third-Parties
  2. MatprojStructure
  3. mp-704461

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-704461
  • 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: 50
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'Co', 'O']
  • Chemical System: Ba-Co-La-Mn-O
  • Density: 6.801135076241632
  • Atomic Density: 0.08359886494713684
  • Unit Cell Volume: 598.0942448395341
  • Molar Volume: 7.203615460339155
  • Full Formula: Ba3 La7 Mn1 Co9 O30
  • Reduced Formula: Ba3La7Mn(Co3O10)3
  • Formula Anonymous: AB3C7D9E30
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -382.68195691
  • Final energy per atom: -7.6536391382
  • 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.