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  1. Third-Parties
  2. MatprojStructure
  3. mp-680343

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-680343
  • 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: 136
  • Number of elements: 2
  • Element list: ['Ta', 'Te']
  • Chemical System: Ta-Te
  • Density: 10.21516337161439
  • Atomic Density: 0.03831646837395558
  • Unit Cell Volume: 3549.3876594441504
  • Molar Volume: 15.716847130132074
  • Full Formula: Ta84 Te52
  • Reduced Formula: Ta21Te13
  • Formula Anonymous: A13B21
  • Spacegroup Number: 183
  • Spacegroup Symbol: P6mm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -1215.73681098
  • Final energy per atom: -8.939241257205882
  • 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.