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  1. Third-Parties
  2. MatprojStructure
  3. mp-685216

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-685216
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['Nb', 'Tl', 'Te']
  • Chemical System: Nb-Te-Tl
  • Density: 7.499948735701225
  • Atomic Density: 0.03897236770975535
  • Unit Cell Volume: 1488.2339310752668
  • Molar Volume: 15.45233485645413
  • Full Formula: Nb24 Tl2 Te32
  • Reduced Formula: Nb12TlTe16
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -386.90225849
  • Final energy per atom: -6.670728594655173
  • 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.