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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216722

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-1216722
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Mo', 'O']
  • Chemical System: Mo-O-Ti
  • Density: 5.0225282938094775
  • Atomic Density: 0.08733119199533353
  • Unit Cell Volume: 68.70397463853013
  • Molar Volume: 6.8957501007449755
  • Full Formula: Ti1 Mo1 O4
  • Reduced Formula: TiMoO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -54.79881546
  • Final energy per atom: -9.13313591
  • 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.