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  1. Third-Parties
  2. MatprojStructure
  3. mp-505088

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-505088
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'I']
  • Chemical System: I-Nb-Te
  • Density: 5.529209961395539
  • Atomic Density: 0.0273600541739075
  • Unit Cell Volume: 1754.3824911639329
  • Molar Volume: 22.010704809726374
  • Full Formula: Nb8 Te32 I8
  • Reduced Formula: NbTe4I
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -226.38000108
  • Final energy per atom: -4.7162500225
  • 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.