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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213594

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-1213594
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Gd', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-Gd-H-N-O
  • Density: 1.9509352359563479
  • Atomic Density: 0.08673424510717917
  • Unit Cell Volume: 922.3577135091505
  • Molar Volume: 6.943209977279823
  • Full Formula: Gd2 H36 C8 N12 Cl6 O16
  • Reduced Formula: GdH18C4N6Cl3O8
  • Formula Anonymous: AB3C4D6E8F18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -506.01019598
  • Final energy per atom: -6.32512744975
  • 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.