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  1. Third-Parties
  2. MatprojStructure
  3. mp-1907

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-1907
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ti', 'Te']
  • Chemical System: Te-Ti
  • Density: 5.967718226177564
  • Atomic Density: 0.03557474669278909
  • Unit Cell Volume: 84.32948309954074
  • Molar Volume: 16.928133914782514
  • Full Formula: Ti1 Te2
  • Reduced Formula: TiTe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -17.116530710000003
  • Final energy per atom: -5.705510236666668
  • 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.