Tm10Cd3Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292781 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Tm10Cd3Fe

MP-ID

mp-3292781

Elements

Sites

Density

9.4468

g/cm³

Volume

732.08

Å³

Cell a

9.3839

Cell b

9.3839

Cell c

9.5999

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
21.50	4.1329	1.8	(1,0,-1,2)
26.57	3.3552	1.8	(2,-1,-1,2)
28.79	3.1013	16.1	(2,0,-2,2)
29.07	3.0716	24.0	(3,-1,-2,0)
30.01	2.9775	37.9	(1,0,-1,3)
30.56	2.9255	2.2	(2,1,-3,1)
30.56	2.9255	1.1	(3,-1,-2,1)
33.07	2.7089	17.2	(3,0,-3,0)
34.40	2.6071	73.3	(3,0,-3,1)
34.67	2.5872	100.0	(3,-1,-2,2)
35.72	2.5140	37.2	(2,0,-2,3)
37.47	2.4000	10.2	(0,0,0,4)
38.15	2.3591	1.6	(3,0,-3,2)
38.37	2.3460	11.5	(4,-2,-2,0)
39.14	2.3017	1.1	(1,0,-1,4)
40.72	2.2159	4.4	(3,-1,-2,3)
43.81	2.0664	7.1	(2,0,-2,4)
44.60	2.0317	2.4	(4,0,-4,0)
48.67	1.8710	4.6	(4,0,-4,2)
48.73	1.8685	2.3	(1,0,-1,5)
49.46	1.8427	6.5	(4,-1,-3,3)
51.53	1.7734	1.3	(5,-1,-4,0)
52.47	1.7439	2.5	(4,1,-5,1)
52.47	1.7439	1.3	(5,-1,-4,1)

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Energy Properties

Formation Energy/atom

-0.18189

eV/atom

Energy/atom

-30.60610

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.6061

eV/atom

Volume/atom

26.15

Å³

c/a Ratio

1.0230

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.1284

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.004270

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

10.4107

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.921%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2170

smaller = more stable mixing

VEC

12.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.943

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.714

Related Tasks

Related computation task IDs (1)

aaahfizl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292781

Reference Citation

The crystal structure and related material properties of Tm10Cd3Fe were obtained from the Materials Project database (MP-ID: mp-3292781, 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_Tm10Cd3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38387924
_cell_length_b   9.38388014
_cell_length_c   9.59988182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10Cd3Fe
_chemical_formula_sum   'Tm20 Cd6 Fe2'
_cell_volume   732.08480707
_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  0.00000000  0.00000000  0.50000000  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.54130899  0.45869101  0.25000000  1.0
  Tm  Tm3  1  0.54130899  0.08261799  0.25000000  1.0
  Tm  Tm4  1  0.91738201  0.45869101  0.25000000  1.0
  Tm  Tm5  1  0.45869101  0.54130899  0.75000000  1.0
  Tm  Tm6  1  0.45869101  0.91738201  0.75000000  1.0
  Tm  Tm7  1  0.08261799  0.54130899  0.75000000  1.0
  Tm  Tm8  1  0.21181460  0.78818540  0.43661745  1.0
  Tm  Tm9  1  0.21181460  0.42363020  0.43661745  1.0
  Tm  Tm10  1  0.57636980  0.78818540  0.43661745  1.0
  Tm  Tm11  1  0.78818540  0.21181460  0.56338255  1.0
  Tm  Tm12  1  0.78818540  0.57636980  0.56338255  1.0
  Tm  Tm13  1  0.42363020  0.21181460  0.56338255  1.0
  Tm  Tm14  1  0.78818540  0.21181460  0.93661745  1.0
  Tm  Tm15  1  0.78818540  0.57636980  0.93661745  1.0
  Tm  Tm16  1  0.42363020  0.21181460  0.93661745  1.0
  Tm  Tm17  1  0.21181460  0.78818540  0.06338255  1.0
  Tm  Tm18  1  0.21181460  0.42363020  0.06338255  1.0
  Tm  Tm19  1  0.57636980  0.78818540  0.06338255  1.0
  Cd  Cd20  1  0.88623318  0.11376682  0.25000000  1.0
  Cd  Cd21  1  0.88623318  0.77246636  0.25000000  1.0
  Cd  Cd22  1  0.22753364  0.11376682  0.25000000  1.0
  Cd  Cd23  1  0.11376682  0.88623318  0.75000000  1.0
  Cd  Cd24  1  0.11376682  0.22753364  0.75000000  1.0
  Cd  Cd25  1  0.77246636  0.88623318  0.75000000  1.0
  Fe  Fe26  1  0.33333300  0.66666700  0.25000000  1.0
  Fe  Fe27  1  0.66666700  0.33333300  0.75000000  1.0

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