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  1. Third-Parties
  2. MatprojStructure
  3. mp-554636

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-554636
  • 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: 72
  • Number of elements: 4
  • Element list: ['Gd', 'B', 'O', 'F']
  • Chemical System: B-F-Gd-O
  • Density: 6.5203639334982615
  • Atomic Density: 0.08212766054993999
  • Unit Cell Volume: 876.6839274110141
  • Molar Volume: 7.332658351248263
  • Full Formula: Gd16 B8 O24 F24
  • Reduced Formula: Gd2B(OF)3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -722.97612478
  • Final energy per atom: -10.04133506638889
  • 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.