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  1. Third-Parties
  2. MatprojStructure
  3. mp-774302

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-774302
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'O']
  • Chemical System: Mn-O-Ti
  • Density: 3.9927021097111073
  • Atomic Density: 0.08469486719964352
  • Unit Cell Volume: 566.7403655861926
  • Molar Volume: 7.110396366528983
  • Full Formula: Ti4 Mn12 O32
  • Reduced Formula: TiMn3O8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -402.57548527
  • Final energy per atom: -8.386989276458333
  • 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.