Tm10Zn3Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295005 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Tm10Zn3Ni

MP-ID

mp-3295005

Elements

Sites

Density

9.3218

g/cm³

Volume

692.69

Å³

Cell a

9.2846

Cell b

9.2846

Cell c

9.2785

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
11.00	8.0407	1.2	(1,0,-1,0)
14.58	6.0765	1.2	(1,0,-1,1)
22.12	4.0184	8.3	(1,0,-1,2)
24.13	3.6890	1.4	(2,0,-2,1)
29.39	3.0391	33.0	(3,-1,-2,0)
29.40	3.0383	20.2	(2,0,-2,2)
30.96	2.8881	9.3	(3,-1,-2,1)
30.98	2.8867	37.8	(1,0,-1,3)
33.43	2.6802	15.4	(3,0,-3,0)
34.84	2.5750	66.0	(3,0,-3,1)
35.31	2.5422	100.0	(3,-1,-2,2)
36.66	2.4514	37.8	(2,0,-2,3)
38.80	2.3212	16.1	(4,-2,-2,0)
38.82	2.3196	8.8	(0,0,0,4)
41.66	2.1677	7.4	(3,-1,-2,3)
43.60	2.0758	1.3	(4,-2,-2,2)
43.62	2.0750	1.1	(2,-1,-1,4)
45.10	2.0102	1.1	(4,0,-4,0)
45.11	2.0099	1.2	(4,-1,-3,2)
45.13	2.0092	8.0	(2,0,-2,4)
49.41	1.8447	1.1	(3,2,-5,0)
49.41	1.8447	2.2	(5,-2,-3,0)
49.41	1.8445	3.3	(4,0,-4,2)
50.45	1.8089	1.0	(3,1,-4,3)

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Energy Properties

Formation Energy/atom

-0.26867

eV/atom

Energy/atom

-28.12038

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.1204

eV/atom

Volume/atom

24.74

Å³

c/a Ratio

0.9993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0016

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

17.9833

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.171%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2185

smaller = more stable mixing

VEC

12.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.551

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.669

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.714

Related Tasks

Related computation task IDs (1)

aaahfmgz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295005

Reference Citation

The crystal structure and related material properties of Tm10Zn3Ni were obtained from the Materials Project database (MP-ID: mp-3295005, 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_Tm10Zn3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28461640
_cell_length_b   9.28461611
_cell_length_c   9.27850297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10Zn3Ni
_chemical_formula_sum   'Tm20 Zn6 Ni2'
_cell_volume   692.68612158
_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  0.54336307  0.45663693  0.25000000  1.0
  Tm  Tm3  1  0.54336307  0.08672614  0.25000000  1.0
  Tm  Tm4  1  0.91327386  0.45663693  0.25000000  1.0
  Tm  Tm5  1  0.45663693  0.54336307  0.75000000  1.0
  Tm  Tm6  1  0.45663693  0.91327386  0.75000000  1.0
  Tm  Tm7  1  0.08672614  0.54336307  0.75000000  1.0
  Tm  Tm8  1  0.20825687  0.79174313  0.43706207  1.0
  Tm  Tm9  1  0.20825687  0.41651573  0.43706207  1.0
  Tm  Tm10  1  0.58348427  0.79174313  0.43706207  1.0
  Tm  Tm11  1  0.79174313  0.20825687  0.56293793  1.0
  Tm  Tm12  1  0.79174313  0.58348427  0.56293793  1.0
  Tm  Tm13  1  0.41651573  0.20825687  0.56293793  1.0
  Tm  Tm14  1  0.79174313  0.20825687  0.93706207  1.0
  Tm  Tm15  1  0.79174313  0.58348427  0.93706207  1.0
  Tm  Tm16  1  0.41651573  0.20825687  0.93706207  1.0
  Tm  Tm17  1  0.20825687  0.79174313  0.06293793  1.0
  Tm  Tm18  1  0.20825687  0.41651573  0.06293793  1.0
  Tm  Tm19  1  0.58348427  0.79174313  0.06293793  1.0
  Zn  Zn20  1  0.88503820  0.11496180  0.25000000  1.0
  Zn  Zn21  1  0.88503820  0.77007540  0.25000000  1.0
  Zn  Zn22  1  0.22992460  0.11496180  0.25000000  1.0
  Zn  Zn23  1  0.11496180  0.88503820  0.75000000  1.0
  Zn  Zn24  1  0.11496180  0.22992460  0.75000000  1.0
  Zn  Zn25  1  0.77007540  0.88503820  0.75000000  1.0
  Ni  Ni26  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni27  1  0.66666700  0.33333300  0.75000000  1.0

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