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  1. Third-Parties
  2. MatprojStructure
  3. mp-651155

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-651155
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 2
  • Element list: ['Te', 'I']
  • Chemical System: I-Te
  • Density: 4.42959911406012
  • Atomic Density: 0.0209972595422376
  • Unit Cell Volume: 3810.021009602413
  • Molar Volume: 28.680603522978807
  • Full Formula: Te16 I64
  • Reduced Formula: TeI4
  • Formula Anonymous: AB4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -181.64438316
  • Final energy per atom: -2.2705547895
  • 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.