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  1. Third-Parties
  2. MatprojStructure
  3. mp-554136

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-554136
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Tb', 'Mn', 'O']
  • Chemical System: Ba-Mn-O-Tb
  • Density: 7.1058340847690085
  • Atomic Density: 0.0758449609408484
  • Unit Cell Volume: 316.43499716108545
  • Molar Volume: 7.9400670595594045
  • Full Formula: Ba2 Tb4 Mn4 O14
  • Reduced Formula: BaTb2Mn2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.6435472
  • Final energy per atom: -8.3601478
  • 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.