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  1. Third-Parties
  2. MatprojStructure
  3. mp-505132

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-505132
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ta', 'Te', 'Pd']
  • Chemical System: Pd-Ta-Te
  • Density: 7.65337832181629
  • Atomic Density: 0.03480434828433002
  • Unit Cell Volume: 1149.2816838064232
  • Molar Volume: 17.302840181930232
  • Full Formula: Ta6 Te28 Pd6
  • Reduced Formula: Ta3Te14Pd3
  • Formula Anonymous: A3B3C14
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -215.4356561
  • Final energy per atom: -5.3858914024999995
  • 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.