Y12CdCo4Rh

高熵材料 HEA

MP-ID: mp-3294141 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Y12CdCo4Rh

MP-ID

mp-3294141

Elements

Sites

Density

5.6070

g/cm³

Volume

449.54

Å³

Cell a

8.3600

Cell b

8.3600

Cell c

8.3600

α Angle

110.39

β Angle

110.06

γ Angle

107.97

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
12.93	6.8477	1.3	(0,1,0)
12.93	6.8477	1.3	(1,0,-1)
18.05	4.9158	5.0	(1,1,-1)
18.52	4.7914	6.0	(1,-1,1)
18.60	4.7715	8.9	(1,-1,-1)
28.79	3.1009	3.2	(2,1,-1)
28.79	3.1009	3.2	(1,2,-2)
28.80	3.0995	8.7	(1,2,-1)
29.40	3.0379	17.0	(2,-1,1)
29.49	3.0291	2.9	(2,-2,1)
29.51	3.0265	6.5	(1,-2,-1)
29.59	3.0190	28.7	(2,-2,-1)
32.13	2.7857	100.0	(3,-1,-1)
32.13	2.7857	33.3	(1,1,-3)
34.46	2.6025	3.0	(2,1,0)
34.46	2.6025	3.0	(0,3,-2)
34.50	2.6001	54.7	(1,2,0)
34.79	2.5788	16.5	(3,-1,0)
34.79	2.5788	49.6	(2,0,1)
34.88	2.5726	1.3	(1,-3,0)
35.02	2.5626	30.5	(3,-2,0)
35.07	2.5588	27.6	(2,-3,0)
36.56	2.4579	15.9	(2,2,-2)
37.54	2.3957	10.5	(2,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.21955

eV/atom

Energy/atom

-19.16073

eV/atom

Energy above Hull

0.0012

eV/atom

Uncorrected Energy

-19.1607

eV/atom

Volume/atom

24.97

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6019

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001340

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

0.4047

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.565%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3433

smaller = more stable mixing

VEC

5.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.271

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkzt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294141

Reference Citation

The crystal structure and related material properties of Y12CdCo4Rh were obtained from the Materials Project database (MP-ID: mp-3294141, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Y12CdCo4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35999534
_cell_length_b   8.35999533
_cell_length_c   8.35999442
_cell_angle_alpha   110.39431807
_cell_angle_beta   110.06256542
_cell_angle_gamma   107.96734022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y12CdCo4Rh
_chemical_formula_sum   'Y12 Cd1 Co4 Rh1'
_cell_volume   449.54036382
_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
  Y  Y0  1  0.40501551  0.21007269  0.19494281  1.0
  Y  Y1  1  0.59498449  0.78992731  0.80505719  1.0
  Y  Y2  1  0.01513088  0.21007269  0.80505719  1.0
  Y  Y3  1  0.98486912  0.78992731  0.19494281  1.0
  Y  Y4  1  0.18504883  0.29373309  0.47878193  1.0
  Y  Y5  1  0.81495117  0.70626691  0.52121807  1.0
  Y  Y6  1  0.18504883  0.70626691  0.89131674  1.0
  Y  Y7  1  0.81495117  0.29373309  0.10868326  1.0
  Y  Y8  1  0.31664000  0.61899727  0.30235827  1.0
  Y  Y9  1  0.68336000  0.38100273  0.69764173  1.0
  Y  Y10  1  0.31664000  0.01428173  0.69764173  1.0
  Y  Y11  1  0.68336000  0.98571827  0.30235827  1.0
  Cd  Cd12  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co13  1  0.38416106  0.00000000  0.38416106  1.0
  Co  Co14  1  0.61583894  1.00000000  0.61583894  1.0
  Co  Co15  1  0.10948687  0.60948687  0.50000000  1.0
  Co  Co16  1  0.89051313  0.39051313  0.50000000  1.0
  Rh  Rh17  1  0.00000000  0.00000000  0.00000000  1.0

Get direct link