Sm8Sn(PdPt)12

高熵材料 HEA

MP-ID: mp-3293251 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Sm8Sn(PdPt)12

MP-ID

mp-3293251

Elements

Sites

Density

13.6588

g/cm³

Volume

600.52

Å³

Cell a

8.4213

Cell b

8.4345

Cell c

8.4546

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
10.46	8.4546	4.2	(0,0,1)
10.49	8.4345	3.7	(0,1,0)
10.50	8.4213	1.3	(1,0,0)
14.84	5.9714	1.4	(0,1,1)
14.85	5.9665	11.6	(1,0,1)
14.87	5.9594	2.0	(1,1,0)
14.87	5.9594	2.0	(1,-1,0)
21.02	4.2273	10.3	(0,0,2)
23.54	3.7793	1.0	(0,1,2)
23.54	3.7791	1.1	(0,1,-2)
23.62	3.7673	2.9	(2,1,0)
25.87	3.4439	1.9	(1,2,1)
29.93	2.9857	3.8	(0,2,2)
29.93	2.9855	3.7	(0,2,-2)
29.95	2.9833	2.2	(2,0,-2)
29.95	2.9832	2.2	(2,0,2)
31.75	2.8182	5.3	(0,0,3)
31.83	2.8115	3.0	(0,3,0)
31.88	2.8071	4.1	(3,0,0)
33.53	2.6729	1.1	(0,1,-3)
33.59	2.6679	1.5	(0,3,1)
33.59	2.6678	1.6	(0,3,-1)
36.91	2.4355	100.0	(2,-2,-2)
36.91	2.4355	100.0	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.96824

eV/atom

Energy/atom

-35.99817

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.9982

eV/atom

Volume/atom

18.20

Å³

c/a Ratio

1.0040

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

Pd · 0.364

Element Family

4d-TM

Solute Fraction

0.636

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1852

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8537

J/mol·K

Ω Parameter

1.4850

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.392%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4575

smaller = more stable mixing

VEC

8.848

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.600

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjrn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293251

Reference Citation

The crystal structure and related material properties of Sm8Sn(PdPt)12 were obtained from the Materials Project database (MP-ID: mp-3293251, 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_Sm8Sn(PdPt)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42130318
_cell_length_b   8.43449517
_cell_length_c   8.45457632
_cell_angle_alpha   89.99637738
_cell_angle_beta   90.00002658
_cell_angle_gamma   89.99998669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm8Sn(PdPt)12
_chemical_formula_sum   'Sm8 Sn1 Pd12 Pt12'
_cell_volume   600.52382899
_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
  Sm  Sm0  1  0.25094241  0.25135351  0.25159823  1.0
  Sm  Sm1  1  0.74790740  0.74745668  0.74747774  1.0
  Sm  Sm2  1  0.74780183  0.74815578  0.25256682  1.0
  Sm  Sm3  1  0.74927586  0.25203677  0.74852021  1.0
  Sm  Sm4  1  0.25072414  0.25203677  0.74852021  1.0
  Sm  Sm5  1  0.25219817  0.74815578  0.25256582  1.0
  Sm  Sm6  1  0.25209260  0.74745668  0.74747774  1.0
  Sm  Sm7  1  0.74905759  0.25135351  0.25159823  1.0
  Sn  Sn8  1  1.00000000  0.00480594  0.00068991  1.0
  Pd  Pd9  1  0.26672599  0.00008104  0.50025951  1.0
  Pd  Pd10  1  0.50000000  0.00016190  0.73176618  1.0
  Pd  Pd11  1  0.73327401  0.00008104  0.50025951  1.0
  Pd  Pd12  1  0.00000000  0.50060560  0.26741560  1.0
  Pd  Pd13  1  0.00000200  0.50076861  0.73285859  1.0
  Pd  Pd14  1  0.50000000  0.25538177  0.49964827  1.0
  Pd  Pd15  1  0.50000000  0.74452050  0.49967926  1.0
  Pd  Pd16  1  0.50000000  0.49943752  0.25625238  1.0
  Pd  Pd17  1  0.50000000  0.49928152  0.74301641  1.0
  Pd  Pd18  1  0.00000000  0.69027121  0.00000946  1.0
  Pd  Pd19  1  0.00000000  0.99899701  0.31331887  1.0
  Pd  Pd20  1  1.00000000  0.99894157  0.68767058  1.0
  Pt  Pt21  1  0.26686428  0.49980141  0.99997117  1.0
  Pt  Pt22  1  0.73313472  0.49980041  0.99997217  1.0
  Pt  Pt23  1  1.00000000  0.26457111  0.50023689  1.0
  Pt  Pt24  1  0.50000000  0.26568025  0.99949105  1.0
  Pt  Pt25  1  0.00000000  0.73403816  0.50024513  1.0
  Pt  Pt26  1  0.50000000  0.73135182  0.99951292  1.0
  Pt  Pt27  1  0.50000000  0.00011797  0.26828677  1.0
  Pt  Pt28  1  0.25413621  0.49961500  0.49996833  1.0
  Pt  Pt29  1  0.74586379  0.49961500  0.49996933  1.0
  Pt  Pt30  1  0.31355077  0.99828864  0.99958666  1.0
  Pt  Pt31  1  0.68644923  0.99828964  0.99958666  1.0
  Pt  Pt32  1  1.00000000  0.31748789  0.00000637  1.0

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