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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227378

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-1227378
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Mn', 'Bi', 'O']
  • Chemical System: Ba-Bi-Mn-O-Ti
  • Density: 7.09059639296558
  • Atomic Density: 0.07833402440120633
  • Unit Cell Volume: 127.65844824699191
  • Molar Volume: 7.6877714454656045
  • Full Formula: Ba1 Ti1 Mn1 Bi1 O6
  • Reduced Formula: BaTiMnBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -77.50479028000001
  • Final energy per atom: -7.750479028000001
  • 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.