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GdZnPd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080178 · Space group: P-62m (#189)

Basic Information

Formula
GdZnPd
MP-ID
mp-1080178
Elements
3
Sites
9
Density
9.1530
g/cm³
Volume
179.10
ų
Cell a
3.8809
Å
Cell b
7.3112
Å
Cell c
7.2943
Å
α Angle
120.07
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.00 6.3269 1.2 (0,1,0)
14.00 6.3267 1.2 (0,1,-1)
14.03 6.3123 1.1 (0,0,1)
22.92 3.8809 9.5 (1,0,0)
24.35 3.6556 14.1 (0,2,-1)
24.41 3.6472 14.9 (0,1,1)
24.41 3.6471 14.9 (0,1,-2)
26.95 3.3081 1.2 (1,1,0)
26.95 3.3081 1.2 (1,1,-1)
26.97 3.3060 1.3 (1,0,1)
28.21 3.1635 11.6 (0,2,0)
28.21 3.1634 11.6 (0,2,-2)
28.28 3.1561 11.1 (0,0,2)
33.68 2.6610 99.3 (1,2,-1)
33.72 2.6578 100.0 (1,1,1)
33.72 2.6577 100.0 (1,1,-2)
36.65 2.4520 92.6 (1,2,0)
36.65 2.4520 92.6 (1,2,-2)
36.70 2.4486 90.6 (1,0,2)
37.59 2.3929 19.2 (0,3,-1)
37.59 2.3929 19.2 (0,3,-2)
37.65 2.3890 18.4 (0,2,1)
37.65 2.3889 18.4 (0,2,-3)
37.69 2.3866 18.9 (0,1,2)
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Energy Properties

Formation Energy/atom
-0.73524
eV/atom
Energy/atom
-7.57382
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.7978
eV/atom
Volume/atom
19.90
ų
c/a Ratio
1.8795

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.3393
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.040980
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
0.2459
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.978%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4089
smaller = more stable mixing
VEC
8.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-50.841
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-1080178
Reference Citation

The crystal structure and related material properties of GdZnPd were obtained from the Materials Project database (MP-ID: mp-1080178, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_GdZnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88089948
_cell_length_b   7.31120904
_cell_length_c   7.29429111
_cell_angle_alpha   120.07483587
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdZnPd
_chemical_formula_sum   'Gd3 Zn3 Pd3'
_cell_volume   179.10484126
_cell_formula_units_Z   3
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  0.59442939  1.00000013  1.0
  Gd  Gd1  1  0.50000000  0.40508542  0.40423231  1.0
  Gd  Gd2  1  0.50000000  0.00085290  0.59576602  1.0
  Zn  Zn3  1  -0.00000000  0.24862803  -0.00000117  1.0
  Zn  Zn4  1  -0.00000000  0.75185938  0.75162294  1.0
  Zn  Zn5  1  0.00000000  0.00023607  0.24837757  1.0
  Pd  Pd6  1  0.00000000  0.33301069  0.66642441  1.0
  Pd  Pd7  1  0.00000000  0.66658804  0.33357450  1.0
  Pd  Pd8  1  0.50000000  0.99921106  0.00000230  1.0
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