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  1. Third-Parties
  2. MatprojStructure
  3. mp-510285

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-510285
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 2
  • Element list: ['Ti', 'Se']
  • Chemical System: Se-Ti
  • Density: 5.596597959411029
  • Atomic Density: 0.06001499453394834
  • Unit Cell Volume: 749.8126151547862
  • Molar Volume: 10.034393582412957
  • Full Formula: Ti33 Se12
  • Reduced Formula: Ti11Se4
  • Formula Anonymous: A4B11
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -337.81792283
  • Final energy per atom: -7.507064951777777
  • 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.