Sr2Cd8Pd3Au

高熵材料 HEA

MP-ID: mp-3293874 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Sr2Cd8Pd3Au

MP-ID

mp-3293874

Elements

Sites

Density

8.4493

g/cm³

Volume

312.63

Å³

Cell a

8.2904

Cell b

8.2904

Cell c

4.5486

α Angle

90.00

β Angle

90.00

γ Angle

90.20

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
10.67	8.2904	6.3	(1,0,0)
15.09	5.8725	32.9	(1,-1,0)
15.14	5.8519	9.8	(1,1,0)
19.52	4.5486	1.4	(0,0,1)
21.44	4.1452	30.2	(2,0,0)
22.29	3.9878	4.9	(1,0,1)
23.97	3.7128	2.8	(2,-1,0)
24.04	3.7024	3.6	(2,1,0)
24.76	3.5961	2.1	(1,-1,1)
24.79	3.5913	2.0	(1,1,1)
29.15	3.0638	2.9	(2,0,1)
30.44	2.9362	14.6	(2,-2,0)
30.55	2.9260	18.3	(2,2,0)
31.09	2.8763	83.2	(2,-1,1)
31.15	2.8714	59.9	(2,1,1)
32.40	2.7635	1.1	(3,0,0)
34.17	2.6244	36.7	(3,-1,0)
34.24	2.6189	24.5	(3,1,0)
36.42	2.4669	51.7	(2,-2,1)
36.51	2.4608	72.2	(2,2,1)
38.10	2.3618	1.3	(3,0,1)
39.24	2.2956	3.6	(3,2,0)
39.63	2.2743	87.0	(0,0,2)
39.65	2.2732	94.8	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.44523

eV/atom

Energy/atom

-22.63077

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.6308

eV/atom

Volume/atom

22.33

Å³

c/a Ratio

0.5487

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.6556

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.555%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4260

smaller = more stable mixing

VEC

10.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-13.829

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkpm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293874

Reference Citation

The crystal structure and related material properties of Sr2Cd8Pd3Au were obtained from the Materials Project database (MP-ID: mp-3293874, 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_Sr2Cd8Pd3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29043716
_cell_length_b   8.29043745
_cell_length_c   4.54863825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.20077716
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Cd8Pd3Au
_chemical_formula_sum   'Sr2 Cd8 Pd3 Au1'
_cell_volume   312.63213144
_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  0.49936188  0.50063812  0.50000000  1.0
  Sr  Sr1  1  0.00275346  0.99724654  0.00000000  1.0
  Cd  Cd2  1  0.33621887  0.09168004  0.50000000  1.0
  Cd  Cd3  1  0.64785153  0.90051398  0.50000000  1.0
  Cd  Cd4  1  0.84334805  0.41274151  0.00000000  1.0
  Cd  Cd5  1  0.15640139  0.59236131  0.00000000  1.0
  Cd  Cd6  1  0.09948602  0.35214847  0.50000000  1.0
  Cd  Cd7  1  0.90831996  0.66378113  0.50000000  1.0
  Cd  Cd8  1  0.40763869  0.84359861  0.00000000  1.0
  Cd  Cd9  1  0.58725849  0.15665195  0.00000000  1.0
  Pd  Pd10  1  0.22512404  0.77487596  0.50000000  1.0
  Pd  Pd11  1  0.27732533  0.27781142  0.00000000  1.0
  Pd  Pd12  1  0.72218858  0.72267467  0.00000000  1.0
  Au  Au13  1  0.78672471  0.21327529  0.50000000  1.0

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