HoTmMg2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982388 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

HoTmMg2

MP-ID

mp-982388

Elements

Sites

Density

5.9834

g/cm³

Volume

106.15

Å³

Cell a

5.3146

Cell b

5.3146

Cell c

5.3146

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

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 10)

2θ	d (Å)	I	hkl
23.68	3.7580	64.9	(1,1,0)
33.73	2.6573	100.0	(2,1,1)
41.63	2.1697	20.0	(2,2,2)
48.45	1.8790	18.1	(2,2,0)
54.61	1.6806	27.6	(3,2,1)
60.33	1.5342	37.5	(3,3,2)
70.93	1.3287	11.5	(4,2,2)
75.97	1.2527	13.2	(4,3,3)
80.89	1.1884	16.1	(4,3,1)
85.75	1.1331	8.0	(4,4,2)

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Energy Properties

Formation Energy/atom

-0.04287

eV/atom

Energy/atom

-3.12815

eV/atom

Energy above Hull

0.0025

eV/atom

Uncorrected Energy

-19.1649

eV/atom

Volume/atom

26.54

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

42.853

GPa

G_VRH

20.630

GPa

Young's Modulus E

53.332

GPa

Poisson Ratio ν

0.293

Pugh Ratio K/G

2.077

Vickers Hardness Est.

1.995

GPa

Ductility

Brittle

Anisotropy

4.438

Lame λ

29.100

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.478%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0357

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.592

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

4.4380

Homogeneous Poisson ν

0.2930

Debye Temperature

411.2

Sound Velocity

2,072.1

m/s

Homogeneity

0.2930

Related Tasks

Related computation task IDs (2)

aaacfnyj aaaehbdg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982388

Reference Citation

The crystal structure and related material properties of HoTmMg2 were obtained from the Materials Project database (MP-ID: mp-982388, 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_HoTmMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31463010
_cell_length_b   5.31463010
_cell_length_c   5.31463010
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTmMg2
_chemical_formula_sum   'Ho1 Tm1 Mg2'
_cell_volume   106.14612142
_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
  Ho  Ho0  1  0.25000000  0.25000000  0.25000000  1.0
  Tm  Tm1  1  0.75000000  0.75000000  0.75000000  1.0
  Mg  Mg2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.50000000  1.0

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