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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225873

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-1225873
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Gd', 'B', 'H', 'O']
  • Chemical System: B-Gd-H-O
  • Density: 4.004056647538824
  • Atomic Density: 0.08350757660815498
  • Unit Cell Volume: 431.0986076020843
  • Molar Volume: 7.2114902678326605
  • Full Formula: Gd4 B8 H4 O20
  • Reduced Formula: GdB2HO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -322.93460662
  • Final energy per atom: -8.970405739444445
  • 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.