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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196036

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-1196036
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 2
  • Element list: ['W', 'I']
  • Chemical System: I-W
  • Density: 5.478458742385583
  • Atomic Density: 0.02337568004834115
  • Unit Cell Volume: 4106.832391676777
  • Molar Volume: 25.76241952125521
  • Full Formula: W24 I72
  • Reduced Formula: WI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -458.4425997
  • Final energy per atom: -4.775443746875
  • 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.