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  1. Third-Parties
  2. MatprojStructure
  3. mp-28691

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-28691
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Te', 'I']
  • Chemical System: I-Ta-Te
  • Density: 6.2352006991093765
  • Atomic Density: 0.027533747717214594
  • Unit Cell Volume: 435.82879175207177
  • Molar Volume: 21.871852759930864
  • Full Formula: Ta2 Te8 I2
  • Reduced Formula: TaTe4I
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -59.44503052
  • Final energy per atom: -4.953752543333334
  • 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.