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  1. Third-Parties
  2. MatprojStructure
  3. mp-9227

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-9227
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Ti', 'Se']
  • Chemical System: Se-Ti
  • Density: 5.002866368357432
  • Atomic Density: 0.045902685739607554
  • Unit Cell Volume: 304.9930472351419
  • Molar Volume: 13.119364723366811
  • Full Formula: Ti6 Se8
  • Reduced Formula: Ti3Se4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -96.10831572
  • Final energy per atom: -6.8648796942857135
  • 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.