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  1. Third-Parties
  2. MatprojStructure
  3. mp-638586

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-638586
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Te', 'Pd']
  • Chemical System: Pd-Te
  • Density: 10.937430187845424
  • Atomic Density: 0.05966663496123155
  • Unit Cell Volume: 536.3131341459432
  • Molar Volume: 10.092978703948852
  • Full Formula: Te6 Pd26
  • Reduced Formula: Te3Pd13
  • Formula Anonymous: A3B13
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -160.7022386
  • Final energy per atom: -5.02194495625
  • 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.