GdBiPd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1076916 · Space group: F-43m (#216)
Basic Information
Formula
GdBiPd
MP-ID
mp-1076916
Elements
3
Sites
3
Density
10.2736
g/cm³
Volume
76.40
ų
Cell a
4.7628
Å
Cell b
4.7628
Å
Cell c
4.7628
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.87 | 3.8888 | 15.9 | (1,1,1) |
| 26.47 | 3.3678 | 36.1 | (1,1,0) |
| 37.78 | 2.3814 | 100.0 | (2,1,1) |
| 44.62 | 2.0309 | 8.2 | (2,2,1) |
| 46.72 | 1.9444 | 10.9 | (2,2,2) |
| 54.49 | 1.6839 | 17.5 | (2,2,0) |
| 59.85 | 1.5453 | 3.4 | (3,2,2) |
| 61.58 | 1.5061 | 14.6 | (3,2,1) |
| 68.21 | 1.3749 | 35.8 | (3,3,2) |
| 72.99 | 1.2963 | 2.6 | (3,3,3) |
| 80.70 | 1.1907 | 11.4 | (4,2,2) |
| 85.24 | 1.1385 | 2.6 | (4,3,2) |
| 86.74 | 1.1226 | 7.6 | (4,3,3) |
Energy Properties
Formation Energy/atom
-1.00465
eV/atom
Energy/atom
-42.62456
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.6246
eV/atom
Volume/atom
25.47
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.091630
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.2773
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.050%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4352
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-43.447
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Gd-rich Multi-Component
Matrix Element
Gd · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076916
Reference Citation
The crystal structure and related material properties of GdBiPd were obtained from the Materials Project database (MP-ID: mp-1076916, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_GdBiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76277707
_cell_length_b 4.76277707
_cell_length_c 4.76277707
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdBiPd
_chemical_formula_sum 'Gd1 Bi1 Pd1'
_cell_volume 76.39514562
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Gd Gd0 1 0.50000000 0.50000000 0.50000000 1.0
Bi Bi1 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd2 1 0.25000000 0.25000000 0.25000000 1.0
