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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217312

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-1217312
  • 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: 5
  • Number of elements: 2
  • Element list: ['Te', 'I']
  • Chemical System: I-Te
  • Density: 4.541590559879614
  • Atomic Density: 0.02152812326011183
  • Unit Cell Volume: 232.25433724936906
  • Molar Volume: 27.973366220724238
  • Full Formula: Te1 I4
  • Reduced Formula: TeI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -10.85488666
  • Final energy per atom: -2.170977332
  • 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.