SrGe3Pd

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978987 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

SrGe3Pd

MP-ID

mp-978987

Elements

Sites

Density

6.6202

g/cm³

Volume

103.33

Å³

Cell a

6.0425

Cell b

6.0425

Cell c

6.0425

α Angle

136.46

β Angle

136.46

γ Angle

63.26

Space Group

I4mm

Point Group

4mm

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
17.24	5.1448	10.7	(1,1,-1)
21.63	4.1088	17.4	(1,0,0)
28.16	3.1690	19.7	(0,0,1)
32.88	2.7237	78.9	(2,1,-1)
33.20	2.6982	100.0	(1,1,0)
34.88	2.5724	5.0	(2,2,-2)
40.25	2.2408	90.4	(1,-1,1)
44.08	2.0544	3.7	(2,0,0)
45.41	1.9972	42.9	(2,2,-1)
46.14	1.9673	4.5	(1,0,1)
48.69	1.8702	26.1	(3,2,-2)
52.91	1.7305	40.0	(2,1,0)
54.29	1.6896	5.5	(3,1,-1)
58.23	1.5845	30.0	(0,0,2)
61.21	1.5143	1.3	(1,1,1)
61.48	1.5082	17.3	(3,3,-2)
64.95	1.4358	21.7	(3,2,-1)
65.91	1.4172	3.4	(1,-1,2)
67.00	1.3967	1.3	(4,3,-3)
68.51	1.3696	9.1	(3,0,0)
68.70	1.3663	23.5	(2,0,1)
68.95	1.3619	1.3	(4,2,-2)
69.70	1.3491	2.6	(2,2,0)
73.65	1.2862	5.7	(4,4,-4)

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Energy Properties

Formation Energy/atom

-0.55234

eV/atom

Energy/atom

-4.70062

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.5032

eV/atom

Volume/atom

20.67

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

70.823

GPa

G_VRH

26.340

GPa

Young's Modulus E

70.304

GPa

Poisson Ratio ν

0.335

Pugh Ratio K/G

2.689

Vickers Hardness Est.

1.261

GPa

Ductility

Brittle

Anisotropy

0.258

Lame λ

53.263

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

1.6062

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.486%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4491

smaller = more stable mixing

VEC

4.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.406

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2580

Homogeneous Poisson ν

0.3350

Debye Temperature

262.9

Sound Velocity

2,238.0

m/s

Homogeneity

0.3350

Related Tasks

Related computation task IDs (5)

aaadmqzt aaaemkqk aaaeuupc aaafalxt aaafwwhy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978987

Reference Citation

The crystal structure and related material properties of SrGe3Pd were obtained from the Materials Project database (MP-ID: mp-978987, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_SrGe3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04245239
_cell_length_b   6.04245239
_cell_length_c   6.04245239
_cell_angle_alpha   136.46488025
_cell_angle_beta   136.46488025
_cell_angle_gamma   63.26243610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGe3Pd
_chemical_formula_sum   'Sr1 Ge3 Pd1'
_cell_volume   103.33142912
_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  0.99858855  0.99858855  0.00000000  1.0
  Ge  Ge1  1  0.39970070  0.39970070  -0.00000000  1.0
  Ge  Ge2  1  0.75315415  0.25315515  0.50000000  1.0
  Ge  Ge3  1  0.25315515  0.75315415  0.50000000  1.0
  Pd  Pd4  1  0.64309646  0.64309646  -0.00000000  1.0

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