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  1. Third-Parties
  2. MatprojStructure
  3. mp-505232

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-505232
  • 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: 68
  • Number of elements: 4
  • Element list: ['Gd', 'Ni', 'B', 'O']
  • Chemical System: B-Gd-Ni-O
  • Density: 4.568519652546295
  • Atomic Density: 0.10877135576662554
  • Unit Cell Volume: 625.1645897096056
  • Molar Volume: 5.536513466763076
  • Full Formula: Gd4 Ni4 B20 O40
  • Reduced Formula: GdNi(BO2)5
  • Formula Anonymous: ABC5D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -604.98416096
  • Final energy per atom: -8.896825896470588
  • 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.