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  1. Third-Parties
  2. MatprojStructure
  3. mp-567268

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-567268
  • 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: 80
  • Number of elements: 6
  • Element list: ['Gd', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: C-F-Gd-H-N-O
  • Density: 2.2162511264176796
  • Atomic Density: 0.08145566001603578
  • Unit Cell Volume: 982.1294184375989
  • Molar Volume: 7.3931520029602
  • Full Formula: Gd2 H16 C20 N2 O16 F24
  • Reduced Formula: GdH8C10N(O2F3)4
  • Formula Anonymous: ABC8D8E10F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -532.38563088
  • Final energy per atom: -6.654820386
  • 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.