Sr2CdRh2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3203029 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Sr2CdRh2

MP-ID

mp-3203029

Elements

Sites

Density

6.7820

g/cm³

Volume

120.82

Å³

Cell a

5.8887

Cell b

5.8887

Cell c

5.8887

α Angle

135.39

β Angle

119.84

γ Angle

77.90

Space Group

Immm

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
17.88	4.9616	1.5	(1,0,0)
17.88	4.9616	1.5	(0,1,-1)
19.38	4.5795	63.1	(1,1,-1)
22.13	4.0169	6.2	(0,1,0)
30.28	2.9513	5.5	(1,-1,1)
31.82	2.8123	100.0	(0,2,-1)
31.82	2.8123	100.0	(2,0,-1)
33.03	2.7118	45.9	(2,1,-1)
35.61	2.5210	22.2	(1,2,-1)
35.61	2.5210	22.2	(2,1,-2)
36.21	2.4808	20.7	(2,0,0)
36.21	2.4808	20.7	(0,2,-2)
37.83	2.3784	91.7	(2,-1,0)
37.83	2.3784	91.7	(1,0,1)
39.35	2.2898	48.1	(2,2,-2)
40.36	2.2349	72.8	(1,-1,-1)
45.14	2.0085	6.7	(0,2,0)
45.14	2.0085	6.7	(2,0,-2)
47.18	1.9263	3.9	(2,2,-1)
47.18	1.9263	1.3	(2,2,-3)
47.25	1.9237	10.7	(2,-1,1)
47.43	1.9169	16.6	(2,1,0)
47.43	1.9169	5.5	(1,2,-3)
50.69	1.8008	8.6	(2,-2,1)

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Energy Properties

Formation Energy/atom

-0.31470

eV/atom

Energy/atom

-20.04846

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.0485

eV/atom

Volume/atom

24.16

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Sr · 0.400

Element Family

Alkali-AlkEarth

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

19.0421

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.438%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5956

smaller = more stable mixing

VEC

6.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.660

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.400

Related Tasks

Related computation task IDs (1)

aaahagfl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3203029

Reference Citation

The crystal structure and related material properties of Sr2CdRh2 were obtained from the Materials Project database (MP-ID: mp-3203029, 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_Sr2CdRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88870502
_cell_length_b   5.88870504
_cell_length_c   5.88870378
_cell_angle_alpha   135.39251264
_cell_angle_beta   119.84322604
_cell_angle_gamma   77.90326707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdRh2
_chemical_formula_sum   'Sr2 Cd1 Rh2'
_cell_volume   120.82221890
_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  0.29683223  0.79683223  0.50000000  1.0
  Sr  Sr1  1  0.70316777  0.20316777  0.50000000  1.0
  Cd  Cd2  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh3  1  0.72138161  0.50000000  0.22138161  1.0
  Rh  Rh4  1  0.27861839  0.50000000  0.77861839  1.0

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