Tm10Cd3Pd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295020 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Tm10Cd3Pd

MP-ID

mp-3295020

Elements

Sites

Density

9.4051

g/cm³

Volume

753.19

Å³

Cell a

9.5540

Cell b

9.5540

Cell c

9.5280

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
14.18	6.2473	1.6	(1,0,-1,1)
21.52	4.1286	3.6	(1,0,-1,2)
28.54	3.1273	9.9	(2,1,-3,0)
28.54	3.1273	9.9	(3,-1,-2,0)
28.58	3.1236	13.4	(2,0,-2,2)
30.08	2.9713	6.1	(3,-1,-2,1)
30.14	2.9651	26.7	(1,0,-1,3)
32.46	2.7580	4.5	(0,3,-3,0)
32.46	2.7580	8.9	(3,0,-3,0)
33.84	2.6493	21.8	(0,3,-3,1)
33.84	2.6493	43.6	(3,0,-3,1)
34.30	2.6143	100.0	(3,-1,-2,2)
35.64	2.5192	40.1	(2,0,-2,3)
37.66	2.3885	16.1	(4,-2,-2,0)
37.77	2.3820	11.6	(0,0,0,4)
40.43	2.2310	1.2	(4,-1,-3,1)
40.48	2.2284	3.3	(2,1,-3,3)
40.48	2.2284	1.7	(3,-1,-2,3)
42.40	2.1317	1.2	(2,-1,-1,4)
43.86	2.0643	4.3	(2,0,-2,4)
47.95	1.8974	1.2	(0,4,-4,2)
47.95	1.8974	2.5	(4,0,-4,2)
48.97	1.8601	3.8	(4,-1,-3,3)
49.06	1.8570	2.6	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

-0.34821

eV/atom

Energy/atom

-31.38292

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.3829

eV/atom

Volume/atom

26.90

Å³

c/a Ratio

0.9973

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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

Tm · 0.714

Element Family

Lanthanide

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

8.3202

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2822

smaller = more stable mixing

VEC

12.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.180

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

Tm-rich Multi-Component

Matrix Element

Tm · 0.714

Related Tasks

Related computation task IDs (1)

aaahfmho

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295020

Reference Citation

The crystal structure and related material properties of Tm10Cd3Pd were obtained from the Materials Project database (MP-ID: mp-3295020, 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_Tm10Cd3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55401955
_cell_length_b   9.55402015
_cell_length_c   9.52798422
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10Cd3Pd
_chemical_formula_sum   'Tm20 Cd6 Pd2'
_cell_volume   753.18899100
_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
  Tm  Tm0  1  0.20766149  0.79233851  0.94055561  1.0
  Tm  Tm1  1  0.20766149  0.41532398  0.94055561  1.0
  Tm  Tm2  1  0.58467602  0.79233851  0.94055561  1.0
  Tm  Tm3  1  0.79233851  0.20766149  0.05944439  1.0
  Tm  Tm4  1  0.79233851  0.58467602  0.05944439  1.0
  Tm  Tm5  1  0.41532398  0.20766149  0.05944439  1.0
  Tm  Tm6  1  0.79233851  0.20766149  0.44055561  1.0
  Tm  Tm7  1  0.79233851  0.58467602  0.44055561  1.0
  Tm  Tm8  1  0.41532398  0.20766149  0.44055561  1.0
  Tm  Tm9  1  0.20766149  0.79233851  0.55944439  1.0
  Tm  Tm10  1  0.20766149  0.41532398  0.55944439  1.0
  Tm  Tm11  1  0.58467602  0.79233851  0.55944439  1.0
  Tm  Tm12  1  0.54308721  0.45691279  0.75000000  1.0
  Tm  Tm13  1  0.54308721  0.08617441  0.75000000  1.0
  Tm  Tm14  1  0.91382559  0.45691279  0.75000000  1.0
  Tm  Tm15  1  0.45691279  0.54308721  0.25000000  1.0
  Tm  Tm16  1  0.45691279  0.91382559  0.25000000  1.0
  Tm  Tm17  1  0.08617441  0.54308721  0.25000000  1.0
  Tm  Tm18  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm19  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd20  1  0.88451950  0.11548050  0.75000000  1.0
  Cd  Cd21  1  0.88451950  0.76903900  0.75000000  1.0
  Cd  Cd22  1  0.23096100  0.11548050  0.75000000  1.0
  Cd  Cd23  1  0.11548050  0.88451950  0.25000000  1.0
  Cd  Cd24  1  0.11548050  0.23096100  0.25000000  1.0
  Cd  Cd25  1  0.76903900  0.88451950  0.25000000  1.0
  Pd  Pd26  1  0.33333300  0.66666700  0.75000000  1.0
  Pd  Pd27  1  0.66666700  0.33333300  0.25000000  1.0

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