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  1. Third-Parties
  2. MatprojStructure
  3. mp-567931

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-567931
  • 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: 10
  • Number of elements: 3
  • Element list: ['In', 'Si', 'Te']
  • Chemical System: In-Si-Te
  • Density: 5.226637833979407
  • Atomic Density: 0.029936598052555077
  • Unit Cell Volume: 334.0392913865677
  • Molar Volume: 20.116316321005662
  • Full Formula: In2 Si2 Te6
  • Reduced Formula: InSiTe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -39.84758939
  • Final energy per atom: -3.984758939
  • 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.