Y10Cd3Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292290 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Y10Cd3Rh

MP-ID

mp-3292290

Elements

Sites

Density

5.5271

g/cm³

Volume

798.67

Å³

Cell a

9.7239

Cell b

9.7239

Cell c

9.7534

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
10.51	8.4212	4.1	(1,0,-1,0)
13.89	6.3740	4.7	(1,0,-1,1)
18.19	4.8767	6.9	(0,0,0,2)
18.25	4.8620	2.1	(2,-1,-1,0)
21.10	4.2106	1.2	(2,0,-2,0)
23.01	3.8657	9.9	(2,0,-2,1)
28.00	3.1870	4.5	(2,0,-2,2)
28.03	3.1829	6.7	(3,-1,-2,0)
29.45	3.0329	17.9	(1,0,-1,3)
29.52	3.0259	1.0	(3,-1,-2,1)
29.52	3.0259	1.0	(3,-2,-1,1)
31.88	2.8071	12.0	(3,0,-3,0)
33.21	2.6976	76.6	(3,0,-3,1)
33.62	2.6654	100.0	(3,-1,-2,2)
34.87	2.5733	48.7	(2,0,-2,3)
36.86	2.4383	14.2	(0,0,0,4)
36.95	2.4328	1.2	(3,0,-3,2)
36.98	2.4310	14.1	(4,-2,-2,0)
38.43	2.3421	1.7	(1,0,-1,4)
39.63	2.2744	2.3	(3,-1,-2,3)
39.68	2.2714	6.3	(4,-1,-3,1)
41.43	2.1796	1.8	(2,-1,-1,4)
42.86	2.1101	1.7	(2,0,-2,4)
46.94	1.9356	2.5	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

-0.35539

eV/atom

Energy/atom

-20.89733

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.8973

eV/atom

Volume/atom

28.52

Å³

c/a Ratio

1.0030

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

1.7970

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.714

Element Family

4d-TM

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

0.3893

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.107%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3106

smaller = more stable mixing

VEC

5.357

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-25.479

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.609

Family

Y-rich Multi-Component

Matrix Element

Y · 0.714

Related Tasks

Related computation task IDs (1)

aaahfigo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292290

Reference Citation

The crystal structure and related material properties of Y10Cd3Rh were obtained from the Materials Project database (MP-ID: mp-3292290, 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_Y10Cd3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72392597
_cell_length_b   9.72392567
_cell_length_c   9.75335021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y10Cd3Rh
_chemical_formula_sum   'Y20 Cd6 Rh2'
_cell_volume   798.67066878
_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
  Y  Y0  1  0.00000000  0.00000000  0.50000000  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y2  1  0.20935282  0.79064718  0.43884707  1.0
  Y  Y3  1  0.20935282  0.41870663  0.43884707  1.0
  Y  Y4  1  0.58129337  0.79064718  0.43884707  1.0
  Y  Y5  1  0.79064718  0.20935282  0.56115293  1.0
  Y  Y6  1  0.79064718  0.58129337  0.56115293  1.0
  Y  Y7  1  0.41870663  0.20935282  0.56115293  1.0
  Y  Y8  1  0.79064718  0.20935282  0.93884707  1.0
  Y  Y9  1  0.79064718  0.58129337  0.93884707  1.0
  Y  Y10  1  0.41870663  0.20935282  0.93884707  1.0
  Y  Y11  1  0.20935282  0.79064718  0.06115293  1.0
  Y  Y12  1  0.20935282  0.41870663  0.06115293  1.0
  Y  Y13  1  0.58129337  0.79064718  0.06115293  1.0
  Y  Y14  1  0.54253216  0.45746784  0.25000000  1.0
  Y  Y15  1  0.54253216  0.08506432  0.25000000  1.0
  Y  Y16  1  0.91493568  0.45746784  0.25000000  1.0
  Y  Y17  1  0.45746784  0.54253216  0.75000000  1.0
  Y  Y18  1  0.45746784  0.91493568  0.75000000  1.0
  Y  Y19  1  0.08506432  0.54253216  0.75000000  1.0
  Cd  Cd20  1  0.88465504  0.11534496  0.25000000  1.0
  Cd  Cd21  1  0.88465504  0.76931108  0.25000000  1.0
  Cd  Cd22  1  0.23068892  0.11534496  0.25000000  1.0
  Cd  Cd23  1  0.11534496  0.88465504  0.75000000  1.0
  Cd  Cd24  1  0.11534496  0.23068892  0.75000000  1.0
  Cd  Cd25  1  0.76931108  0.88465504  0.75000000  1.0
  Rh  Rh26  1  0.33333300  0.66666700  0.25000000  1.0
  Rh  Rh27  1  0.66666700  0.33333300  0.75000000  1.0

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