Pr2Al9OsPt2

High-Entropy Materials HEA

MP-ID: mp-3294907 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Pr2Al9OsPt2

MP-ID

mp-3294907

Elements

Sites

Density

7.5479

g/cm³

Volume

486.22

Å³

Cell a

7.6241

Cell b

7.6241

Cell c

9.6043

α Angle

90.00

β Angle

90.00

γ Angle

119.43

Space Group

Cmcm

Point Group

mmm

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
13.33	6.6402	1.4	(1,0,-1,0)
13.33	6.6402	1.4	(0,1,-1,0)
13.45	6.5837	4.2	(1,-1,0,0)
16.23	5.4619	4.1	(1,0,-1,1)
16.23	5.4619	4.1	(0,1,-1,1)
18.48	4.8022	20.9	(0,0,0,2)
22.85	3.8912	1.4	(1,0,-1,2)
22.92	3.8797	1.4	(1,-1,0,2)
23.13	3.8448	17.6	(1,1,-2,0)
23.34	3.8119	35.4	(2,-1,-1,0)
24.95	3.5694	8.1	(1,1,-2,1)
25.13	3.5430	17.2	(2,-1,-1,1)
27.09	3.2918	2.3	(2,-2,0,0)
28.44	3.1379	4.3	(2,0,-2,1)
29.77	3.0013	51.2	(1,1,-2,2)
29.93	2.9856	100.0	(2,-1,-1,2)
31.01	2.8838	2.7	(1,0,-1,3)
32.79	2.7309	2.4	(2,0,-2,2)
32.99	2.7152	5.3	(2,-2,0,2)
35.69	2.5159	1.5	(2,1,-3,0)
35.69	2.5159	1.5	(1,2,-3,0)
36.52	2.4602	11.2	(1,1,-2,3)
36.66	2.4515	23.2	(2,-1,-1,3)
37.15	2.4199	2.7	(3,-1,-2,1)

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Energy Properties

Formation Energy/atom

-0.87543

eV/atom

Energy/atom

-20.54382

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.5438

eV/atom

Volume/atom

17.37

Å³

c/a Ratio

1.2597

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.643

Element Family

PostTransition-Noble

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

J/mol·K

Ω Parameter

0.5941

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.374%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3422

smaller = more stable mixing

VEC

4.357

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.716

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmdf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294907

Reference Citation

The crystal structure and related material properties of Pr2Al9OsPt2 were obtained from the Materials Project database (MP-ID: mp-3294907, 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_Pr2Al9OsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62411128
_cell_length_b   7.62411001
_cell_length_c   9.60431286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.43174146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Al9OsPt2
_chemical_formula_sum   'Pr4 Al18 Os2 Pt4'
_cell_volume   486.22106937
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.99356652  0.66981072  0.25000000  1.0
  Pr  Pr1  1  0.00643348  0.33018928  0.75000000  1.0
  Pr  Pr2  1  0.66981072  0.99356652  0.25000000  1.0
  Pr  Pr3  1  0.33018928  0.00643348  0.75000000  1.0
  Al  Al4  1  0.12892298  0.12892298  0.25000000  1.0
  Al  Al5  1  0.87107702  0.87107702  0.75000000  1.0
  Al  Al6  1  0.00286853  0.33004806  0.07253719  1.0
  Al  Al7  1  0.99713147  0.66995194  0.92746281  1.0
  Al  Al8  1  0.99713147  0.66995194  0.57253719  1.0
  Al  Al9  1  0.33004806  0.00286853  0.42746281  1.0
  Al  Al10  1  0.00286853  0.33004806  0.42746281  1.0
  Al  Al11  1  0.66995194  0.99713147  0.57253719  1.0
  Al  Al12  1  0.66995194  0.99713147  0.92746281  1.0
  Al  Al13  1  0.33004806  0.00286853  0.07253719  1.0
  Al  Al14  1  0.33048664  0.33048664  0.54683940  1.0
  Al  Al15  1  0.66951336  0.66951336  0.45316060  1.0
  Al  Al16  1  0.66951336  0.66951336  0.04683940  1.0
  Al  Al17  1  0.33048664  0.33048664  0.95316060  1.0
  Al  Al18  1  0.34171456  0.54320660  0.25000000  1.0
  Al  Al19  1  0.65828544  0.45679340  0.75000000  1.0
  Al  Al20  1  0.54320660  0.34171456  0.25000000  1.0
  Al  Al21  1  0.45679340  0.65828544  0.75000000  1.0
  Os  Os22  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os23  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt24  1  0.67097544  0.32902456  0.00000000  1.0
  Pt  Pt25  1  0.32902456  0.67097544  0.00000000  1.0
  Pt  Pt26  1  0.32902456  0.67097544  0.50000000  1.0
  Pt  Pt27  1  0.67097544  0.32902456  0.50000000  1.0

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