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  1. Third-Parties
  2. MatprojStructure
  3. mp-675237

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-675237
  • Created at: Sept. 4, 2022, 2:43 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: ['Na', 'Gd', 'I']
  • Chemical System: Gd-I-Na
  • Density: 4.092370741854723
  • Atomic Density: 0.024953100066286083
  • Unit Cell Volume: 400.7518093317356
  • Molar Volume: 24.133838056203935
  • Full Formula: Na3 Gd1 I6
  • Reduced Formula: Na3GdI6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -42.82068513
  • Final energy per atom: -4.2820685130000005
  • 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.