Pr10OsRu3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296590 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Pr10OsRu3

MP-ID

mp-3296590

Elements

Sites

Density

7.7294

g/cm³

Volume

408.73

Å³

Cell a

8.9602

Cell b

8.9726

Cell c

7.3664

α Angle

84.29

β Angle

84.31

γ Angle

43.96

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
10.70	8.2669	13.2	(1,1,0)
12.08	7.3241	4.8	(0,0,1)
14.23	6.2231	9.7	(0,1,0)
14.25	6.2147	3.3	(1,0,0)
15.28	5.7990	2.9	(1,1,1)
17.01	5.2120	2.4	(1,1,-1)
18.33	4.8405	3.3	(0,1,1)
18.35	4.8348	2.3	(1,0,1)
19.09	4.6500	39.3	(0,1,-1)
19.09	4.6480	35.9	(1,0,-1)
20.88	4.2553	1.9	(2,1,0)
21.50	4.1334	8.9	(2,2,0)
23.25	3.8253	2.8	(1,2,1)
23.29	3.8187	2.5	(2,1,1)
23.55	3.7770	1.0	(2,2,1)
24.31	3.6620	3.1	(0,0,2)
25.03	3.5583	3.5	(1,2,-1)
25.05	3.5542	1.8	(2,1,-1)
26.56	3.3559	3.4	(1,-1,0)
27.68	3.2229	25.8	(1,1,-2)
27.76	3.2137	34.5	(0,1,2)
27.78	3.2116	30.1	(1,0,2)
28.69	3.1115	2.7	(0,2,0)
28.73	3.1073	5.0	(2,0,0)

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Energy Properties

Formation Energy/atom

-0.17664

eV/atom

Energy/atom

-30.41224

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.4122

eV/atom

Volume/atom

29.19

Å³

c/a Ratio

0.8221

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.447%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4834

smaller = more stable mixing

VEC

4.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.669

Family

Pr-rich Multi-Component

Matrix Element

Pr · 0.714

Related Tasks

Related computation task IDs (1)

aaahfopy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296590

Reference Citation

The crystal structure and related material properties of Pr10OsRu3 were obtained from the Materials Project database (MP-ID: mp-3296590, 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_Pr10OsRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96021525
_cell_length_b   8.97259147
_cell_length_c   7.36643695
_cell_angle_alpha   84.29159472
_cell_angle_beta   84.30876782
_cell_angle_gamma   43.95850926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr10OsRu3
_chemical_formula_sum   'Pr10 Os1 Ru3'
_cell_volume   408.72758440
_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
  Pr  Pr0  1  0.01703409  0.79706217  0.91139051  1.0
  Pr  Pr1  1  0.20255151  0.98033446  0.59230520  1.0
  Pr  Pr2  1  0.98195599  0.20351028  0.09109700  1.0
  Pr  Pr3  1  0.79533717  0.01873388  0.40935188  1.0
  Pr  Pr4  1  0.35750385  0.21321114  0.81432366  1.0
  Pr  Pr5  1  0.79065965  0.64194009  0.68224071  1.0
  Pr  Pr6  1  0.64056742  0.78882590  0.18353766  1.0
  Pr  Pr7  1  0.21191944  0.35610575  0.31542188  1.0
  Pr  Pr8  1  0.57151930  0.42863857  0.75025678  1.0
  Pr  Pr9  1  0.42742191  0.57194048  0.25161646  1.0
  Os  Os10  1  0.17439591  0.60599858  0.57192679  1.0
  Ru  Ru11  1  0.39055490  0.83138721  0.92747184  1.0
  Ru  Ru12  1  0.83082399  0.39143852  0.42681351  1.0
  Ru  Ru13  1  0.60775586  0.17087298  0.07224512  1.0

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