Navigation

HEAS Data Platform · Materials Science Database

Gd2(Zn2Ge)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-582406 · Space group: P-62m (#189)

Basic Information

Formula
Gd2(Zn2Ge)3
MP-ID
mp-582406
Elements
3
Sites
11
Density
7.7639
g/cm³
Volume
197.81
ų
Cell a
7.5445
Å
Cell b
7.5446
Å
Cell c
4.0128
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
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
13.55 6.5339 1.2 (0,1,-1,0)
13.55 6.5339 1.2 (1,0,-1,0)
13.55 6.5337 1.2 (1,-1,0,0)
22.15 4.0128 3.3 (0,0,0,1)
23.58 3.7724 8.3 (1,1,-2,0)
23.58 3.7723 8.3 (1,-2,1,0)
23.58 3.7723 8.3 (2,-1,-1,0)
27.30 3.2670 6.5 (0,2,-2,0)
27.30 3.2670 6.5 (2,0,-2,0)
27.30 3.2669 6.5 (2,-2,0,0)
32.58 2.7485 100.0 (1,1,-2,1)
32.58 2.7485 100.0 (1,-2,1,1)
32.58 2.7485 100.0 (2,-1,-1,1)
35.43 2.5335 15.4 (0,2,-2,1)
35.43 2.5335 15.4 (2,0,-2,1)
35.43 2.5335 15.4 (2,-2,0,1)
36.38 2.4696 11.6 (1,2,-3,0)
36.38 2.4696 11.6 (2,1,-3,0)
36.38 2.4696 11.6 (1,-3,2,0)
36.38 2.4696 11.6 (3,-1,-2,0)
36.38 2.4695 11.6 (2,-3,1,0)
36.38 2.4695 11.6 (3,-2,-1,0)
41.46 2.1780 31.4 (0,3,-3,0)
41.46 2.1780 31.4 (3,0,-3,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.39764
eV/atom
Energy/atom
-4.90489
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.9659
eV/atom
Volume/atom
17.98
ų
c/a Ratio
0.5319

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
14.1726
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.071650
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.545
Element Family
3d-TM
Solute Fraction
0.455
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9949
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2718
J/mol·K
Ω Parameter
0.3091
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.784%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2681
smaller = more stable mixing
VEC
8.182
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-26.667
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9056
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.705
Family
Zn-based Alloy
Matrix Element
Zn · 0.545

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-582406
Reference Citation

The crystal structure and related material properties of Gd2(Zn2Ge)3 were obtained from the Materials Project database (MP-ID: mp-582406, 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_Gd2(Zn2Ge)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54454076
_cell_length_b   7.54456652
_cell_length_c   4.01277658
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99803850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2(Zn2Ge)3
_chemical_formula_sum   'Gd2 Zn6 Ge3'
_cell_volume   197.81139099
_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  0.66664992  0.33334495  0.00000000  1.0
  Gd  Gd1  1  0.33334052  0.66665544  0.00000000  1.0
  Zn  Zn2  1  0.28572786  0.28573782  0.50000000  1.0
  Zn  Zn3  1  0.19010483  0.99997867  0.00000000  1.0
  Zn  Zn4  1  0.71426613  0.00001419  0.50000000  1.0
  Zn  Zn5  1  -0.00000214  0.19010453  0.00000000  1.0
  Zn  Zn6  1  0.80990458  0.80990150  -0.00000000  1.0
  Zn  Zn7  1  0.00001399  0.71426222  0.50000000  1.0
  Ge  Ge8  1  0.38611273  -0.00000653  0.50000000  1.0
  Ge  Ge9  1  0.61388508  0.61389421  0.50000000  1.0
  Ge  Ge10  1  0.99999551  0.38611200  0.50000000  1.0
Get direct link