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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224338

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-1224338
  • 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: 22
  • Number of elements: 5
  • Element list: ['K', 'Gd', 'C', 'O', 'F']
  • Chemical System: C-F-Gd-K-O
  • Density: 3.5918420897397363
  • Atomic Density: 0.06546483482990313
  • Unit Cell Volume: 336.0582831555668
  • Molar Volume: 9.199046748758
  • Full Formula: K4 Gd2 C3 O9 F4
  • Reduced Formula: K4Gd2C3O9F4
  • Formula Anonymous: A2B3C4D4E9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -174.74450474
  • Final energy per atom: -7.942932033636364
  • 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.