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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196489

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-1196489
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Te', 'Br', 'N']
  • Chemical System: Br-N-Te
  • Density: 2.0857470368500675
  • Atomic Density: 0.017801464960968034
  • Unit Cell Volume: 4044.6109439795614
  • Molar Volume: 33.8294672556686
  • Full Formula: Te8 Br48 N16
  • Reduced Formula: Te(Br3N)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 228
  • Spacegroup Symbol: Fd-3c1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -190.04500088
  • Final energy per atom: -2.639513901111111
  • 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.