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  1. Third-Parties
  2. MatprojStructure
  3. mp-18791

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-18791
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Ba', 'Mn', 'O']
  • Chemical System: Ba-Mn-O
  • Density: 5.778261424887655
  • Atomic Density: 0.06767493912387365
  • Unit Cell Volume: 502.4016340489893
  • Molar Volume: 8.898627524403006
  • Full Formula: Ba8 Mn6 O20
  • Reduced Formula: Ba4Mn3O10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -255.85101137
  • Final energy per atom: -7.525029746176471
  • 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.