Sm2CdCo2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3252295 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Sm2CdCo2

MP-ID

mp-3252295

Elements

Sites

Density

8.1248

g/cm³

Volume

108.53

Å³

Cell a

7.3054

Cell b

7.3054

Cell c

3.9876

α Angle

90.00

β Angle

90.00

γ Angle

149.34

Space Group

Cmmm

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
12.56	7.0454	2.7	(1,-1,0)
22.29	3.9876	2.1	(0,0,1)
23.89	3.7254	2.9	(1,0,0)
25.28	3.5227	5.4	(2,-2,0)
25.67	3.4703	1.5	(1,-1,1)
29.95	2.9835	23.7	(1,-2,0)
29.95	2.9835	23.7	(2,-1,0)
32.90	2.7223	57.5	(0,1,1)
32.90	2.7223	57.5	(1,0,1)
33.96	2.6401	100.0	(2,-2,1)
37.65	2.3889	31.4	(2,-1,1)
38.33	2.3485	7.2	(3,-3,0)
39.59	2.2767	40.2	(3,-2,0)
45.49	1.9938	28.3	(0,0,2)
45.90	1.9771	1.6	(2,-3,1)
45.90	1.9771	1.6	(3,-2,1)
47.05	1.9314	25.6	(1,1,0)
51.17	1.7851	5.7	(3,-4,0)
51.17	1.7851	5.7	(4,-3,0)
51.91	1.7614	7.2	(4,-4,0)
52.76	1.7352	1.6	(2,-2,2)
55.43	1.6577	17.0	(2,-1,2)
56.48	1.6293	7.9	(3,-4,1)
56.48	1.6293	7.9	(4,-3,1)

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Energy Properties

Formation Energy/atom

-0.18007

eV/atom

Energy/atom

-21.38793

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.3879

eV/atom

Volume/atom

21.71

Å³

c/a Ratio

0.5459

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0829

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.019190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.400

Element Family

Lanthanide

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

5.6222

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.432%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3243

smaller = more stable mixing

VEC

8.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.128

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

Sm-rich Multi-Component

Matrix Element

Sm · 0.400

Related Tasks

Related computation task IDs (1)

aaahdbch

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252295

Reference Citation

The crystal structure and related material properties of Sm2CdCo2 were obtained from the Materials Project database (MP-ID: mp-3252295, 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_Sm2CdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30535201
_cell_length_b   7.30535264
_cell_length_c   3.98762546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.33893803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2CdCo2
_chemical_formula_sum   'Sm2 Cd1 Co2'
_cell_volume   108.52542187
_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
  Sm  Sm0  1  0.63467746  0.36532254  0.50000000  1.0
  Sm  Sm1  1  0.36532254  0.63467746  0.50000000  1.0
  Cd  Cd2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.78958287  0.21041713  0.00000000  1.0
  Co  Co4  1  0.21041713  0.78958287  0.00000000  1.0

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