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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196255

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-1196255
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Gd', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Gd-H-O
  • Density: 2.8653870472807443
  • Atomic Density: 0.0876272912958625
  • Unit Cell Volume: 776.013944906805
  • Molar Volume: 6.872448835223037
  • Full Formula: Gd4 H24 C8 Cl4 O28
  • Reduced Formula: GdH6C2ClO7
  • Formula Anonymous: ABC2D6E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -477.09649913
  • Final energy per atom: -7.016124987205882
  • 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.