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  1. Third-Parties
  2. MatprojStructure
  3. mp-19188

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-19188
  • 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: 3
  • Element list: ['Ba', 'Mn', 'O']
  • Chemical System: Ba-Mn-O
  • Density: 5.093168106559505
  • Atomic Density: 0.06135749377975815
  • Unit Cell Volume: 423.74612126966315
  • Molar Volume: 9.814841495345927
  • Full Formula: Ba6 Mn4 O16
  • Reduced Formula: Ba3Mn2O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -190.44298947
  • Final energy per atom: -7.324730364230769
  • 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.