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  1. Third-Parties
  2. MatprojStructure
  3. mp-561553

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-561553
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Ce', 'Mn', 'O']
  • Chemical System: Ba-Ce-Mn-O
  • Density: 5.932665701603361
  • Atomic Density: 0.06829725016576041
  • Unit Cell Volume: 292.8375586346321
  • Molar Volume: 8.81754498956254
  • Full Formula: Ba4 Ce1 Mn3 O12
  • Reduced Formula: Ba4CeMn3O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -155.99936208
  • Final energy per atom: -7.7999681039999995
  • 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.