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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104611

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-1104611
  • 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: 14
  • Number of elements: 3
  • Element list: ['Gd', 'C', 'I']
  • Chemical System: C-Gd-I
  • Density: 6.959886940625042
  • Atomic Density: 0.03393900737088575
  • Unit Cell Volume: 412.50469841406624
  • Molar Volume: 17.74400970007754
  • Full Formula: Gd6 C2 I6
  • Reduced Formula: Gd3CI3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -128.74289215
  • Final energy per atom: -9.195920867857142
  • 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.