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  1. Third-Parties
  2. MatprojStructure
  3. mp-5214

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-5214
  • 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: 48
  • Number of elements: 3
  • Element list: ['Ti', 'Te', 'O']
  • Chemical System: O-Te-Ti
  • Density: 5.245689501995166
  • Atomic Density: 0.06785556046251803
  • Unit Cell Volume: 707.3849169150136
  • Molar Volume: 8.874940710756492
  • Full Formula: Ti4 Te12 O32
  • Reduced Formula: TiTe3O8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -323.4925494
  • Final energy per atom: -6.7394281125
  • 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.