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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220435

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-1220435
  • 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: 15
  • Number of elements: 3
  • Element list: ['Nb', 'Tl', 'Se']
  • Chemical System: Nb-Se-Tl
  • Density: 7.311794928763892
  • Atomic Density: 0.047397856145043354
  • Unit Cell Volume: 316.4700098269873
  • Molar Volume: 12.705512969978004
  • Full Formula: Nb6 Tl1 Se8
  • Reduced Formula: Nb6TlSe8
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -106.81420568
  • Final energy per atom: -7.120947045333334
  • 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.