Sr9(PdPt2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292966 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr9(PdPt2)2

MP-ID

mp-3292966

Elements

Sites

Density

6.5063

g/cm³

Volume

454.74

Å³

Cell a

8.0417

Cell b

8.0513

Cell c

8.0372

α Angle

71.41

β Angle

71.68

γ Angle

71.67

Space Group

Point Group

Crystal System

Triclinic

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
11.94	7.4143	68.9	(1,0,0)
11.94	7.4116	19.9	(0,1,0)
11.96	7.3990	55.0	(0,0,1)
14.71	6.0225	1.8	(0,1,1)
14.75	6.0055	9.3	(1,1,0)
14.77	5.9996	5.6	(1,0,1)
14.93	5.9321	44.1	(1,1,1)
18.84	4.7107	33.7	(1,-1,0)
18.85	4.7070	21.7	(1,0,-1)
18.90	4.6947	38.5	(0,1,-1)
22.33	3.9807	8.8	(1,-1,-1)
22.41	3.9667	17.6	(1,-1,1)
22.42	3.9662	16.7	(1,1,-1)
22.75	3.9085	3.6	(1,2,1)
24.01	3.7071	7.9	(2,0,0)
24.01	3.7058	3.8	(0,2,0)
24.06	3.6995	1.6	(0,0,2)
24.09	3.6940	6.6	(0,2,1)
24.12	3.6893	14.9	(0,1,2)
24.15	3.6852	10.2	(2,1,0)
24.16	3.6842	12.1	(1,2,0)
24.16	3.6841	13.4	(2,0,1)
24.20	3.6784	4.6	(1,0,2)
27.31	3.2654	3.4	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.69905

eV/atom

Energy/atom

-26.57790

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.5779

eV/atom

Volume/atom

30.32

Å³

c/a Ratio

0.9994

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0026

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9276

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7122

J/mol·K

Ω Parameter

3.8447

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.234%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6389

smaller = more stable mixing

VEC

5.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.844

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8444

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.582

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.600

Related Tasks

Related computation task IDs (1)

aaahfjgo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292966

Reference Citation

The crystal structure and related material properties of Sr9(PdPt2)2 were obtained from the Materials Project database (MP-ID: mp-3292966, 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_Sr9(PdPt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04174358
_cell_length_b   8.05125386
_cell_length_c   8.03716886
_cell_angle_alpha   71.40979543
_cell_angle_beta   71.67601918
_cell_angle_gamma   71.66764159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr9(PdPt2)2
_chemical_formula_sum   'Sr9 Pd2 Pt4'
_cell_volume   454.74011513
_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  0.00118775  0.99986928  0.00228274  1.0
  Sr  Sr1  1  0.79638367  0.79361035  0.79884116  1.0
  Sr  Sr2  1  0.20035356  0.20230049  0.20068053  1.0
  Sr  Sr3  1  0.32491285  0.60968088  0.84753337  1.0
  Sr  Sr4  1  0.84536308  0.33057800  0.60557657  1.0
  Sr  Sr5  1  0.61319151  0.84118017  0.32670519  1.0
  Sr  Sr6  1  0.67668866  0.39163867  0.15829474  1.0
  Sr  Sr7  1  0.15649582  0.67207205  0.38920179  1.0
  Sr  Sr8  1  0.39231421  0.15711154  0.67204315  1.0
  Pd  Pd9  1  0.14314073  0.96047592  0.58590409  1.0
  Pd  Pd10  1  0.58546337  0.14740810  0.96013570  1.0
  Pt  Pt11  1  0.96020580  0.58772478  0.14926905  1.0
  Pt  Pt12  1  0.85098728  0.04036196  0.41453034  1.0
  Pt  Pt13  1  0.41184502  0.85486218  0.03995941  1.0
  Pt  Pt14  1  0.04146867  0.41112462  0.84904319  1.0

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