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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220423

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-1220423
  • Created at: Sept. 4, 2022, 2:39 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', 'Te']
  • Chemical System: Nb-Te-Tl
  • Density: 7.887320702632864
  • Atomic Density: 0.03996800782609035
  • Unit Cell Volume: 375.3001667050387
  • Molar Volume: 15.067402874328057
  • Full Formula: Nb6 Tl1 Te8
  • Reduced Formula: Nb6TlTe8
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -97.85321274
  • Final energy per atom: -6.523547516
  • 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.