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  1. Third-Parties
  2. MatprojStructure
  3. mp-29117

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-29117
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ta', 'Te', 'I']
  • Chemical System: I-Ta-Te
  • Density: 6.710127226754088
  • Atomic Density: 0.028516152591756643
  • Unit Cell Volume: 771.4925752767815
  • Molar Volume: 21.118349470962155
  • Full Formula: Ta6 Te2 I14
  • Reduced Formula: Ta3TeI7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -114.80277411
  • Final energy per atom: -5.218307914090909
  • 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.