TbSm5Cd23Ge

High-Entropy Materials HEA

MP-ID: mp-3292351 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

TbSm5Cd23Ge

MP-ID

mp-3292351

Elements

Sites

Density

8.6058

g/cm³

Volume

688.62

Å³

Cell a

9.9158

Cell b

9.9158

Cell c

9.9046

α Angle

60.04

β Angle

60.04

γ Angle

59.93

Space Group

I4mm

Point Group

4mm

Crystal System

Tetragonal

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
27.73	3.2169	2.3	(2,0,-1)
27.76	3.2139	1.2	(2,-1,0)
28.45	3.1378	3.4	(3,2,1)
28.48	3.1335	3.6	(3,1,2)
28.50	3.1321	3.6	(2,1,3)
31.24	2.8635	3.0	(3,1,0)
31.24	2.8635	3.0	(1,1,-2)
31.27	2.8603	11.7	(3,0,1)
33.16	2.7013	13.8	(3,2,0)
33.21	2.6977	7.8	(3,0,0)
33.21	2.6977	23.5	(3,3,3)
33.23	2.6959	27.5	(3,0,2)
36.24	2.4790	100.0	(4,2,2)
36.28	2.4762	50.3	(2,2,4)
37.94	2.3715	1.1	(4,2,1)
37.94	2.3715	3.2	(3,1,-1)
37.98	2.3690	5.0	(4,1,2)
38.00	2.3678	4.5	(3,-1,1)
38.47	2.3398	6.2	(3,3,0)
38.56	2.3345	11.6	(3,0,3)
40.65	2.2193	1.8	(4,3,1)
40.73	2.2152	1.5	(2,-1,3)
40.74	2.2147	1.9	(3,1,4)
42.25	2.1389	2.1	(4,4,3)

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Energy Properties

Formation Energy/atom

-0.35282

eV/atom

Energy/atom

-22.22542

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.2254

eV/atom

Volume/atom

22.95

Å³

c/a Ratio

0.9989

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0129

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.767

Element Family

4d-TM

Solute Fraction

0.233

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7291

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.0616

J/mol·K

Ω Parameter

3.1847

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.099%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2257

smaller = more stable mixing

VEC

10.633

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.474

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5259

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiix

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292351

Reference Citation

The crystal structure and related material properties of TbSm5Cd23Ge were obtained from the Materials Project database (MP-ID: mp-3292351, 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…

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Raw CIF Data

# generated using pymatgen
data_TbSm5Cd23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91583470
_cell_length_b   9.91583366
_cell_length_c   9.90462071
_cell_angle_alpha   60.03739672
_cell_angle_beta   60.03740020
_cell_angle_gamma   59.92519608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSm5Cd23Ge
_chemical_formula_sum   'Tb1 Sm5 Cd23 Ge1'
_cell_volume   688.62094812
_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
  Tb  Tb0  1  0.79343926  0.79343926  0.20656074  1.0
  Sm  Sm1  1  0.20817290  0.79165614  0.20834386  1.0
  Sm  Sm2  1  0.79165614  0.20817290  0.20834386  1.0
  Sm  Sm3  1  0.20695269  0.20695269  0.79304731  1.0
  Sm  Sm4  1  0.79165614  0.20817290  0.79182710  1.0
  Sm  Sm5  1  0.20817290  0.79165614  0.79182710  1.0
  Cd  Cd6  1  0.83545458  0.83545458  0.49269399  1.0
  Cd  Cd7  1  0.83405336  0.49567896  0.83513334  1.0
  Cd  Cd8  1  0.49567896  0.83405336  0.83513334  1.0
  Cd  Cd9  1  0.83545458  0.83545458  0.83639485  1.0
  Cd  Cd10  1  0.16486666  0.16486666  0.50432104  1.0
  Cd  Cd11  1  0.16360515  0.50730601  0.16454542  1.0
  Cd  Cd12  1  0.50730601  0.16360515  0.16454542  1.0
  Cd  Cd13  1  0.16486666  0.16486666  0.16594664  1.0
  Cd  Cd14  1  0.62362109  0.62362109  0.13257296  1.0
  Cd  Cd15  1  0.62276811  0.13099862  0.62311763  1.0
  Cd  Cd16  1  0.13099862  0.62276811  0.62311763  1.0
  Cd  Cd17  1  0.62362109  0.62362109  0.62018786  1.0
  Cd  Cd18  1  0.37688237  0.37688237  0.86900138  1.0
  Cd  Cd19  1  0.37981214  0.86742704  0.37637891  1.0
  Cd  Cd20  1  0.86742704  0.37981214  0.37637891  1.0
  Cd  Cd21  1  0.37688237  0.37688237  0.37723189  1.0
  Cd  Cd22  1  0.99967058  0.99967058  0.50032942  1.0
  Cd  Cd23  1  0.50002259  0.99980301  0.49997741  1.0
  Cd  Cd24  1  0.99980301  0.50002259  0.49997741  1.0
  Cd  Cd25  1  0.49967058  0.49967058  0.00032942  1.0
  Cd  Cd26  1  0.99980301  0.50002259  0.00019699  1.0
  Cd  Cd27  1  0.50002259  0.99980301  0.00019699  1.0
  Cd  Cd28  1  0.49918136  0.49918136  0.50081864  1.0
  Ge  Ge29  1  0.99847745  0.99847745  0.00152255  1.0

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