Sr(GePd)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978986 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Sr(GePd)2

MP-ID

mp-978986

Elements

Sites

Density

7.4304

g/cm³

Volume

99.61

Å³

Cell a

6.0097

Cell b

6.0097

Cell c

6.0097

α Angle

137.03

β Angle

137.03

γ Angle

62.39

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
17.25	5.1408	29.0	(1,1,-1)
33.13	2.7042	49.6	(2,1,-1)
33.66	2.6626	100.0	(1,1,0)
34.91	2.5704	6.2	(2,2,-2)
41.01	2.2010	68.2	(1,-1,1)
44.79	2.0233	9.6	(2,0,0)
45.78	1.9820	36.9	(2,2,-1)
48.89	1.8631	12.4	(3,2,-2)
53.69	1.7070	24.5	(2,1,0)
54.92	1.6718	6.6	(3,1,-1)
59.38	1.5563	22.5	(0,0,2)
61.80	1.5011	21.0	(3,3,-2)
62.34	1.4896	3.5	(1,1,1)
65.66	1.4220	10.1	(3,2,-1)
69.52	1.3521	1.3	(4,2,-2)
69.71	1.3489	5.6	(3,0,0)
70.03	1.3436	23.0	(2,0,1)
70.77	1.3313	3.1	(2,2,0)
73.72	1.2852	5.7	(4,4,-4)
78.07	1.2241	14.6	(3,1,0)
80.40	1.1944	2.9	(4,1,-1)
84.18	1.1501	6.7	(2,1,1)
87.99	1.1098	14.8	(5,3,-3)
88.94	1.1005	7.4	(2,-2,2)

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Energy Properties

Formation Energy/atom

-0.71289

eV/atom

Energy/atom

-4.97254

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.4885

eV/atom

Volume/atom

19.92

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

76.495

GPa

G_VRH

31.552

GPa

Young's Modulus E

83.215

GPa

Poisson Ratio ν

0.319

Pugh Ratio K/G

2.424

Vickers Hardness Est.

2.345

GPa

Ductility

Brittle

Anisotropy

0.454

Lame λ

55.460

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.4640

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.418%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4697

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.542

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4540

Homogeneous Poisson ν

0.3190

Debye Temperature

272.5

Sound Velocity

2,307.3

m/s

Homogeneity

0.3190

Related Tasks

Related computation task IDs (5)

aaadmlmn aaaemcoe aaaeuujh aaafanyr aaafxgmv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978986

Reference Citation

The crystal structure and related material properties of Sr(GePd)2 were obtained from the Materials Project database (MP-ID: mp-978986, 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_Sr(GePd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00965842
_cell_length_b   6.00965842
_cell_length_c   6.00965842
_cell_angle_alpha   137.03202457
_cell_angle_beta   137.03202457
_cell_angle_gamma   62.38878056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(GePd)2
_chemical_formula_sum   'Sr1 Ge2 Pd2'
_cell_volume   99.61404619
_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
  Sr  Sr0  1  0.00000000  0.00000000  -0.00000000  1.0
  Ge  Ge1  1  0.62971105  0.62971105  0.00000000  1.0
  Ge  Ge2  1  0.37028795  0.37028795  0.00000000  1.0
  Pd  Pd3  1  0.25000100  0.75000300  0.50000200  1.0
  Pd  Pd4  1  0.75000300  0.25000100  0.50000200  1.0

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