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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216648

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-1216648
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ti', 'Te', 'Se']
  • Chemical System: Se-Te-Ti
  • Density: 5.532920278818756
  • Atomic Density: 0.039288312259806966
  • Unit Cell Volume: 76.35858675123296
  • Molar Volume: 15.328071921686535
  • Full Formula: Ti1 Te1 Se1
  • Reduced Formula: TiTeSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -18.17211468
  • Final energy per atom: -6.05737156
  • 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.