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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217929

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-1217929
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ta', 'Nb', 'Cu', 'Te']
  • Chemical System: Cu-Nb-Ta-Te
  • Density: 6.365592676901634
  • Atomic Density: 0.03659769960535176
  • Unit Cell Volume: 437.18594809331364
  • Molar Volume: 16.454970735699927
  • Full Formula: Ta1 Nb1 Cu6 Te8
  • Reduced Formula: TaNb(Cu3Te4)2
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -79.52395145
  • Final energy per atom: -4.970246965625
  • 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.